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Date: Mon Jul 10 12:42:52 2023
<HTML>
<HEAD>
<!-- Google tag (gtag.js) -->
<script async src="https://www.googletagmanager.com/gtag/js?id=G-60EDW3Y6ET"></script>
<script>
window.dataLayer = window.dataLayer || [];
function gtag(){dataLayer.push(arguments);}
gtag('js', new Date());
gtag('config', 'G-60EDW3Y6ET');
</script>
<TITLE> Errors in I.P. </TITLE></HEAD>
<H2 ALIGN="CENTER"> Errors in I.P. (eV)</H2>
<P ALIGN="CENTER"><CENTER><TABLE CELLSPACING=0 BORDER=1
CELLPADDING=7 WIDTH=900>
<TR> <TD>Empirical </TD><TD> <p align="center"> Name
</TD><TD><P ALIGN="CENTER">Expt. </TD>
<TD><P ALIGN="CENTER"> PM6-ORG </TD>
<TD><P ALIGN="CENTER"> PM6-D3H4 </TD>
<TD><P ALIGN="CENTER"> PM6-D3H4X </TD>
<TD><P ALIGN="CENTER"> PM6 </TD>
<TD><P ALIGN="CENTER"> PM7 </TD>
<TD><P ALIGN="CENTER"> Ref. </TD></TR>
<TR> <TD> H2 </TD><TD><a href="data_molecules/hydrogen_jmol.html">Hydrogen</a></TD><TD><p align="right"> 15.40</TD>
<TD><p align="right"> 1.24</TD>
<TD><p align="right"> -0.36</TD>
<TD><p align="right"> -0.36</TD>
<TD><p align="right"> -0.36</TD>
<TD><p align="right"> -0.37</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CH4 </TD><TD><a href="data_molecules/methane_jmol.html">Methane</a></TD><TD><p align="right"> 13.60</TD>
<TD><p align="right"> 0.72</TD>
<TD><p align="right"> -0.09</TD>
<TD><p align="right"> -0.09</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.13</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> C2H2 </TD><TD><a href="data_molecules/acetylene_jmol.html">Acetylene</a></TD><TD><p align="right"> 11.40</TD>
<TD><p align="right"> 0.12</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H4 </TD><TD><a href="data_molecules/ethylene_jmol.html">Ethylene</a></TD><TD><p align="right"> 10.51</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="right"> 0.17</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3 </TD><TD><a href="data_molecules/carbon,%20trimer_jmol.html">Carbon, trimer</a></TD><TD><p align="right"> 11.10</TD>
<TD><p align="right"> -0.80</TD>
<TD><p align="right"> -0.39</TD>
<TD><p align="right"> -0.39</TD>
<TD><p align="right"> -0.39</TD>
<TD><p align="right"> -0.17</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H4 </TD><TD><a href="data_molecules/allene_jmol.html">Allene</a></TD><TD><p align="right"> 10.07</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.29</TD>
<TD><p align="right"> 0.29</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.33</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H4 </TD><TD><a href="data_molecules/cyclopropene_jmol.html">Cyclopropene</a></TD><TD><p align="right"> 9.86</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.31</TD>
<TD><p align="center"> 3</TD></TR>
<TR> <TD> C3H4 </TD><TD><a href="data_molecules/propyne_jmol.html">Propyne</a></TD><TD><p align="right"> 10.37</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="right"> 0.36</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> C3H6 </TD><TD><a href="data_molecules/cyclopropane_jmol.html">Cyclopropane</a></TD><TD><p align="right"> 11.00</TD>
<TD><p align="right"> 0.72</TD>
<TD><p align="right"> 0.36</TD>
<TD><p align="right"> 0.36</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> C3H6 </TD><TD><a href="data_molecules/propene_jmol.html">Propene</a></TD><TD><p align="right"> 9.88</TD>
<TD><p align="right"> 0.27</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="right"> 0.16</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="center"> 4</TD></TR>
<TR> <TD> C3H8 </TD><TD><a href="data_molecules/propane_jmol.html">Propane</a></TD><TD><p align="right"> 11.50</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="right"> -0.15</TD>
<TD><p align="right"> -0.15</TD>
<TD><p align="right"> -0.16</TD>
<TD><p align="right"> -0.11</TD>
<TD><p align="center"> 5</TD></TR>
<TR> <TD> C4H2 </TD><TD><a href="data_molecules/diacetylene_jmol.html">Diacetylene</a></TD><TD><p align="right"> 10.17</TD>
<TD><p align="right"> 0.09</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.36</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H4 </TD><TD><a href="data_molecules/ch2=c=c=ch2_jmol.html">CH2=C=C=CH2</a></TD><TD><p align="right"> 9.10</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="right"> 0.52</TD>
<TD><p align="right"> 0.55</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H6 </TD><TD><a href="data_molecules/1,2-butadiene_jmol.html">1,2-Butadiene</a></TD><TD><p align="right"> 9.15</TD>
<TD><p align="right"> 0.61</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="right"> 0.64</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H6 </TD><TD><a href="data_molecules/1,3-butadiene_jmol.html">1,3-Butadiene</a></TD><TD><p align="right"> 9.08</TD>
<TD><p align="right"> 0.36</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="right"> 0.53</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> C4H6 </TD><TD><a href="data_molecules/1-butyne_jmol.html">1-Butyne</a></TD><TD><p align="right"> 10.20</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.42</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H6 </TD><TD><a href="data_molecules/2-butyne_jmol.html">2-Butyne</a></TD><TD><p align="right"> 9.60</TD>
<TD><p align="right"> 0.56</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.42</TD>
<TD><p align="right"> 0.45</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H6 </TD><TD><a href="data_molecules/cyclobutene_jmol.html">Cyclobutene</a></TD><TD><p align="right"> 9.43</TD>
<TD><p align="right"> 0.47</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.38</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H8 </TD><TD><a href="data_molecules/1-butene_jmol.html">1-Butene</a></TD><TD><p align="right"> 9.70</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.26</TD>
<TD><p align="right"> 0.26</TD>
<TD><p align="right"> 0.27</TD>
<TD><p align="right"> 0.33</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H8 </TD><TD><a href="data_molecules/cyclobutane_jmol.html">Cyclobutane</a></TD><TD><p align="right"> 10.70</TD>
<TD><p align="right"> 0.82</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="right"> 0.32</TD>
<TD><p align="right"> 0.37</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H10 </TD><TD><a href="data_molecules/isobutane_jmol.html">Isobutane</a></TD><TD><p align="right"> 11.40</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="right"> -0.22</TD>
<TD><p align="right"> -0.22</TD>
<TD><p align="right"> -0.19</TD>
<TD><p align="right"> -0.12</TD>
<TD><p align="center"> 5</TD></TR>
<TR> <TD> C4H10 </TD><TD><a href="data_molecules/n-butane_jmol.html">n-Butane, trans</a></TD><TD><p align="right"> 11.20</TD>
<TD><p align="right"> 0.61</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> -0.07</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C5H6 </TD><TD><a href="data_molecules/cyclopentadiene_jmol.html">Cyclopentadiene</a></TD><TD><p align="right"> 8.57</TD>
<TD><p align="right"> 0.62</TD>
<TD><p align="right"> 0.63</TD>
<TD><p align="right"> 0.63</TD>
<TD><p align="right"> 0.63</TD>
<TD><p align="right"> 0.74</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C5H8 </TD><TD><a href="data_molecules/cyclopentene_jmol.html">Cyclopentene</a></TD><TD><p align="right"> 9.18</TD>
<TD><p align="right"> 0.42</TD>
<TD><p align="right"> 0.26</TD>
<TD><p align="right"> 0.26</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.32</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C5H10 </TD><TD><a href="data_molecules/cyclopentane_jmol.html">Cyclopentane</a></TD><TD><p align="right"> 10.50</TD>
<TD><p align="right"> 1.06</TD>
<TD><p align="right"> 0.55</TD>
<TD><p align="right"> 0.55</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="right"> 0.52</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C5H12 </TD><TD><a href="data_molecules/n-pentane_jmol.html">n-Pentane</a></TD><TD><p align="right"> 10.30</TD>
<TD><p align="right"> 1.44</TD>
<TD><p align="right"> 0.79</TD>
<TD><p align="right"> 0.79</TD>
<TD><p align="right"> 0.75</TD>
<TD><p align="right"> 0.78</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C5H12 </TD><TD><a href="data_molecules/neopentane_jmol.html">Neopentane</a></TD><TD><p align="right"> 11.30</TD>
<TD><p align="right"> 0.64</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> 0.04</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="center"> 5</TD></TR>
<TR> <TD> C6H6 </TD><TD><a href="data_molecules/benzene_jmol.html">Benzene</a></TD><TD><p align="right"> 9.25</TD>
<TD><p align="right"> 0.46</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6H10 </TD><TD><a href="data_molecules/cyclohexene_jmol.html">Cyclohexene</a></TD><TD><p align="right"> 10.30</TD>
<TD><p align="right"> -0.69</TD>
<TD><p align="right"> -0.89</TD>
<TD><p align="right"> -0.89</TD>
<TD><p align="right"> -0.90</TD>
<TD><p align="right"> -0.81</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6H12 </TD><TD><a href="data_molecules/cyclohexane_jmol.html">Cyclohexane</a></TD><TD><p align="right"> 10.30</TD>
<TD><p align="right"> 1.01</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C7H8 </TD><TD><a href="data_molecules/cycloheptatriene_jmol.html">Cycloheptatriene</a></TD><TD><p align="right"> 8.50</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.38</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C7H8 </TD><TD><a href="data_molecules/toluene_jmol.html">Toluene</a></TD><TD><p align="right"> 8.82</TD>
<TD><p align="right"> 0.56</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.42</TD>
<TD><p align="right"> 0.61</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> C8H10 </TD><TD><a href="data_molecules/ethylbenzene_jmol.html">Ethylbenzene</a></TD><TD><p align="right"> 8.80</TD>
<TD><p align="right"> 0.61</TD>
<TD><p align="right"> 0.47</TD>
<TD><p align="right"> 0.47</TD>
<TD><p align="right"> 0.47</TD>
<TD><p align="right"> 0.65</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C8H14 </TD><TD><a href="data_molecules/bicyclo(2.2.2)-octane_jmol.html">Bicyclo(2.2.2)-octane</a></TD><TD><p align="right"> 9.45</TD>
<TD><p align="right"> 1.46</TD>
<TD><p align="right"> 0.87</TD>
<TD><p align="right"> 0.87</TD>
<TD><p align="right"> 0.89</TD>
<TD><p align="right"> 0.93</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C10H8 </TD><TD><a href="data_molecules/naphthalene_jmol.html">Naphthalene</a></TD><TD><p align="right"> 8.15</TD>
<TD><p align="right"> 0.58</TD>
<TD><p align="right"> 0.73</TD>
<TD><p align="right"> 0.73</TD>
<TD><p align="right"> 0.73</TD>
<TD><p align="right"> 0.80</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C10H16 </TD><TD><a href="data_molecules/adamantane_jmol.html">Adamantane</a></TD><TD><p align="right"> 9.60</TD>
<TD><p align="right"> 1.12</TD>
<TD><p align="right"> 0.56</TD>
<TD><p align="right"> 0.56</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="right"> 0.60</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C14H10 </TD><TD><a href="data_molecules/anthracene_jmol.html">Anthracene</a></TD><TD><p align="right"> 8.16</TD>
<TD><p align="right"> -0.06</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> NH3 </TD><TD><a href="data_molecules/ammonia_jmol.html">Ammonia</a></TD><TD><p align="right"> 10.85</TD>
<TD><p align="right"> -1.62</TD>
<TD><p align="right"> -0.97</TD>
<TD><p align="right"> -0.97</TD>
<TD><p align="right"> -0.75</TD>
<TD><p align="right"> -0.70</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> CNH </TD><TD><a href="data_molecules/hydrogen%20cyanide_jmol.html">Hydrogen cyanide</a></TD><TD><p align="right"> 13.60</TD>
<TD><p align="right"> -0.53</TD>
<TD><p align="right"> -0.47</TD>
<TD><p align="right"> -0.47</TD>
<TD><p align="right"> -0.47</TD>
<TD><p align="right"> 0.20</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> CNH5 </TD><TD><a href="data_molecules/methylamine_jmol.html">Methylamine</a></TD><TD><p align="right"> 9.60</TD>
<TD><p align="right"> -0.51</TD>
<TD><p align="right"> -0.28</TD>
<TD><p align="right"> -0.28</TD>
<TD><p align="right"> -0.18</TD>
<TD><p align="right"> -0.12</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2NH3 </TD><TD><a href="data_molecules/acetonitrile_jmol.html">Acetonitrile</a></TD><TD><p align="right"> 12.21</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> 0.53</TD>
<TD><p align="right"> 0.53</TD>
<TD><p align="right"> 0.56</TD>
<TD><p align="right"> 0.56</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2NH3 </TD><TD><a href="data_molecules/methyl%20isocyanide_jmol.html">Methyl isocyanide</a></TD><TD><p align="right"> 11.32</TD>
<TD><p align="right"> -0.34</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="right"> 0.17</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2NH5 </TD><TD><a href="data_molecules/ethyleneimine%20(azirane)_jmol.html">Ethyleneimine (Azirane)</a></TD><TD><p align="right"> 9.90</TD>
<TD><p align="right"> -0.08</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.27</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2NH7 </TD><TD><a href="data_molecules/dimethylamine_jmol.html">Dimethylamine</a></TD><TD><p align="right"> 8.93</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> -0.01</TD>
<TD><p align="right"> -0.01</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="right"> 0.15</TD>
<TD><p align="center"> 6</TD></TR>
<TR> <TD> C2NH7 </TD><TD><a href="data_molecules/ethylamine_jmol.html">Ethylamine</a></TD><TD><p align="right"> 9.50</TD>
<TD><p align="right"> -0.46</TD>
<TD><p align="right"> -0.13</TD>
<TD><p align="right"> -0.13</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> 0.02</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3NH </TD><TD><a href="data_molecules/ch.c.cn_jmol.html">CH.C.CN</a></TD><TD><p align="right"> 11.75</TD>
<TD><p align="right"> -0.45</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="right"> 0.20</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3NH3 </TD><TD><a href="data_molecules/acrylonitrile_jmol.html">Acrylonitrile</a></TD><TD><p align="right"> 10.91</TD>
<TD><p align="right"> -0.12</TD>
<TD><p align="right"> 0.32</TD>
<TD><p align="right"> 0.32</TD>
<TD><p align="right"> 0.34</TD>
<TD><p align="right"> 0.37</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3NH5 </TD><TD><a href="data_molecules/ethyl%20cyanide_jmol.html">Ethyl cyanide</a></TD><TD><p align="right"> 11.90</TD>
<TD><p align="right"> 0.09</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.38</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3NH9 </TD><TD><a href="data_molecules/trimethylamine_jmol.html">Trimethylamine</a></TD><TD><p align="right"> 8.54</TD>
<TD><p align="right"> 0.32</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.12</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="center"> 6</TD></TR>
<TR> <TD> C4NH5 </TD><TD><a href="data_molecules/pyrrole_jmol.html">Pyrrole</a></TD><TD><p align="right"> 8.21</TD>
<TD><p align="right"> 0.61</TD>
<TD><p align="right"> 0.69</TD>
<TD><p align="right"> 0.69</TD>
<TD><p align="right"> 0.69</TD>
<TD><p align="right"> 0.81</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C5NH5 </TD><TD><a href="data_molecules/pyridine_jmol.html">Pyridine</a></TD><TD><p align="right"> 9.67</TD>
<TD><p align="right"> 0.45</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6NH7 </TD><TD><a href="data_molecules/aniline_jmol.html">Aniline</a></TD><TD><p align="right"> 7.70</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.52</TD>
<TD><p align="right"> 0.52</TD>
<TD><p align="right"> 0.52</TD>
<TD><p align="right"> 0.62</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C7NH5 </TD><TD><a href="data_molecules/phenyl%20cyanide_jmol.html">Phenyl cyanide</a></TD><TD><p align="right"> 9.70</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.63</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> N2 </TD><TD><a href="data_molecules/nitrogen_jmol.html">Nitrogen</a></TD><TD><p align="right"> 15.60</TD>
<TD><p align="right"> -3.19</TD>
<TD><p align="right"> -2.74</TD>
<TD><p align="right"> -2.74</TD>
<TD><p align="right"> -2.74</TD>
<TD><p align="right"> -1.94</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CN2H2 </TD><TD><a href="data_molecules/diazomethane_jmol.html">Diazomethane</a></TD><TD><p align="right"> 9.00</TD>
<TD><p align="right"> -0.49</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="right"> 0.53</TD>
<TD><p align="right"> 0.54</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CN2H6 </TD><TD><a href="data_molecules/methylhydrazine_jmol.html">Methylhydrazine</a></TD><TD><p align="right"> 9.30</TD>
<TD><p align="right"> -0.98</TD>
<TD><p align="right"> -0.78</TD>
<TD><p align="right"> -0.78</TD>
<TD><p align="right"> -0.72</TD>
<TD><p align="right"> -0.55</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2N2 </TD><TD><a href="data_molecules/cyanogen_jmol.html">Cyanogen</a></TD><TD><p align="right"> 13.36</TD>
<TD><p align="right"> -0.93</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CN3H3 </TD><TD><a href="data_molecules/methyl%20azide_jmol.html">Methyl Azide</a></TD><TD><p align="right"> 9.81</TD>
<TD><p align="right"> -0.86</TD>
<TD><p align="right"> 0.12</TD>
<TD><p align="right"> 0.12</TD>
<TD><p align="right"> 0.13</TD>
<TD><p align="right"> 0.11</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> H2O </TD><TD><a href="data_molecules/water_jmol.html">Water</a></TD><TD><p align="right"> 12.62</TD>
<TD><p align="right"> -0.39</TD>
<TD><p align="right"> -0.75</TD>
<TD><p align="right"> -0.75</TD>
<TD><p align="right"> -0.71</TD>
<TD><p align="right"> -0.51</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> CO </TD><TD><a href="data_molecules/carbon%20monoxide_jmol.html">Carbon monoxide</a></TD><TD><p align="right"> 14.01</TD>
<TD><p align="right"> -2.40</TD>
<TD><p align="right"> -1.99</TD>
<TD><p align="right"> -1.99</TD>
<TD><p align="right"> -1.99</TD>
<TD><p align="right"> -1.68</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CH2O </TD><TD><a href="data_molecules/formaldehyde_jmol.html">Formaldehyde</a></TD><TD><p align="right"> 10.10</TD>
<TD><p align="right"> 0.79</TD>
<TD><p align="right"> 0.10</TD>
<TD><p align="right"> 0.10</TD>
<TD><p align="right"> 0.10</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CH4O </TD><TD><a href="data_molecules/methanol_jmol.html">Methanol</a></TD><TD><p align="right"> 10.96</TD>
<TD><p align="right"> 0.27</TD>
<TD><p align="right"> -0.45</TD>
<TD><p align="right"> -0.45</TD>
<TD><p align="right"> -0.43</TD>
<TD><p align="right"> -0.23</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H2O </TD><TD><a href="data_molecules/ketene_jmol.html">Ketene</a></TD><TD><p align="right"> 9.64</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="right"> 0.20</TD>
<TD><p align="right"> 0.20</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H4O </TD><TD><a href="data_molecules/acetaldehyde_jmol.html">Acetaldehyde</a></TD><TD><p align="right"> 10.21</TD>
<TD><p align="right"> 0.58</TD>
<TD><p align="right"> 0.01</TD>
<TD><p align="right"> 0.01</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="right"> 0.09</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H4O </TD><TD><a href="data_molecules/ethylene%20oxide_jmol.html">Ethylene oxide</a></TD><TD><p align="right"> 10.57</TD>
<TD><p align="right"> 0.60</TD>
<TD><p align="right"> -0.30</TD>
<TD><p align="right"> -0.30</TD>
<TD><p align="right"> -0.30</TD>
<TD><p align="right"> -0.02</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> C2H6O </TD><TD><a href="data_molecules/dimethyl%20ether_jmol.html">Dimethyl ether</a></TD><TD><p align="right"> 10.04</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="right"> -0.31</TD>
<TD><p align="right"> -0.31</TD>
<TD><p align="right"> -0.28</TD>
<TD><p align="right"> -0.09</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H6O </TD><TD><a href="data_molecules/ethanol_jmol.html">Ethanol</a></TD><TD><p align="right"> 10.60</TD>
<TD><p align="right"> 0.45</TD>
<TD><p align="right"> -0.21</TD>
<TD><p align="right"> -0.21</TD>
<TD><p align="right"> -0.21</TD>
<TD><p align="right"> -0.07</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H4O </TD><TD><a href="data_molecules/acrolein_jmol.html">Acrolein</a></TD><TD><p align="right"> 10.11</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.16</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H6O </TD><TD><a href="data_molecules/acetone_jmol.html">Acetone</a></TD><TD><p align="right"> 9.72</TD>
<TD><p align="right"> 0.97</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="right"> 0.54</TD>
<TD><p align="right"> 0.52</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H6O </TD><TD><a href="data_molecules/propanal_jmol.html">Propanal</a></TD><TD><p align="right"> 10.00</TD>
<TD><p align="right"> 0.68</TD>
<TD><p align="right"> 0.09</TD>
<TD><p align="right"> 0.09</TD>
<TD><p align="right"> 0.10</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H4O </TD><TD><a href="data_molecules/furan_jmol.html">Furan</a></TD><TD><p align="right"> 8.88</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="right"> 0.66</TD>
<TD><p align="right"> 0.66</TD>
<TD><p align="right"> 0.66</TD>
<TD><p align="right"> 0.67</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H8O </TD><TD><a href="data_molecules/butanal_jmol.html">Butanal</a></TD><TD><p align="right"> 9.83</TD>
<TD><p align="right"> 0.84</TD>
<TD><p align="right"> 0.26</TD>
<TD><p align="right"> 0.26</TD>
<TD><p align="right"> 0.27</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H10O </TD><TD><a href="data_molecules/diethyl%20ether_jmol.html">Diethyl ether</a></TD><TD><p align="right"> 9.60</TD>
<TD><p align="right"> 0.81</TD>
<TD><p align="right"> -0.01</TD>
<TD><p align="right"> -0.01</TD>
<TD><p align="right"> -0.01</TD>
<TD><p align="right"> 0.13</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C7H6O </TD><TD><a href="data_molecules/benzaldehyde_jmol.html">Benzaldehyde</a></TD><TD><p align="right"> 9.70</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.36</TD>
<TD><p align="right"> 0.36</TD>
<TD><p align="right"> 0.36</TD>
<TD><p align="right"> 0.47</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C7H8O </TD><TD><a href="data_molecules/anisole_jmol.html">Anisole</a></TD><TD><p align="right"> 8.40</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="right"> 0.42</TD>
<TD><p align="right"> 0.42</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CNHO </TD><TD><a href="data_molecules/hydrogen%20isocyanate_jmol.html">Hydrogen isocyanate</a></TD><TD><p align="right"> 11.60</TD>
<TD><p align="right"> -0.98</TD>
<TD><p align="right"> -0.37</TD>
<TD><p align="right"> -0.37</TD>
<TD><p align="right"> -0.37</TD>
<TD><p align="right"> -0.41</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CO2 </TD><TD><a href="data_molecules/carbon%20dioxide_jmol.html">Carbon dioxide</a></TD><TD><p align="right"> 13.78</TD>
<TD><p align="right"> -0.56</TD>
<TD><p align="right"> -0.79</TD>
<TD><p align="right"> -0.79</TD>
<TD><p align="right"> -0.79</TD>
<TD><p align="right"> -1.02</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> CH2O2 </TD><TD><a href="data_molecules/formic%20acid_jmol.html">Formic acid</a></TD><TD><p align="right"> 11.51</TD>
<TD><p align="right"> 0.46</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.02</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H2O2 </TD><TD><a href="data_molecules/trans%20glyoxal_jmol.html">trans Glyoxal</a></TD><TD><p align="right"> 10.59</TD>
<TD><p align="right"> 0.17</TD>
<TD><p align="right"> -0.50</TD>
<TD><p align="right"> -0.50</TD>
<TD><p align="right"> -0.50</TD>
<TD><p align="right"> -0.32</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H4O2 </TD><TD><a href="data_molecules/acetic%20acid_jmol.html">Acetic acid</a></TD><TD><p align="right"> 10.80</TD>
<TD><p align="right"> 0.91</TD>
<TD><p align="right"> 0.60</TD>
<TD><p align="right"> 0.60</TD>
<TD><p align="right"> 0.62</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H4O2 </TD><TD><a href="data_molecules/methyl%20formate_jmol.html">Methyl formate</a></TD><TD><p align="right"> 11.02</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="right"> 0.15</TD>
<TD><p align="right"> 0.15</TD>
<TD><p align="right"> 0.17</TD>
<TD><p align="right"> 0.11</TD>
<TD><p align="center"> 7</TD></TR>
<TR> <TD> C2H6O2 </TD><TD><a href="data_molecules/dimethyl%20peroxide_jmol.html">Dimethyl peroxide</a></TD><TD><p align="right"> 10.60</TD>
<TD><p align="right"> -0.50</TD>
<TD><p align="right"> -1.63</TD>
<TD><p align="right"> -1.63</TD>
<TD><p align="right"> -1.60</TD>
<TD><p align="right"> -1.24</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3O2 </TD><TD><a href="data_molecules/carbon%20suboxide_jmol.html">Carbon suboxide</a></TD><TD><p align="right"> 10.60</TD>
<TD><p align="right"> 0.09</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H4O2 </TD><TD><a href="data_molecules/beta-propiolactone_jmol.html">beta-Propiolactone</a></TD><TD><p align="right"> 10.60</TD>
<TD><p align="right"> 0.84</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="right"> 0.57</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H6O2 </TD><TD><a href="data_molecules/methyl%20acetate_jmol.html">Methyl acetate</a></TD><TD><p align="right"> 10.60</TD>
<TD><p align="right"> 0.79</TD>
<TD><p align="right"> 0.45</TD>
<TD><p align="right"> 0.45</TD>
<TD><p align="right"> 0.47</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H6O2 </TD><TD><a href="data_molecules/propionic%20acid_jmol.html">Propionic acid</a></TD><TD><p align="right"> 10.50</TD>
<TD><p align="right"> 1.09</TD>
<TD><p align="right"> 0.76</TD>
<TD><p align="right"> 0.76</TD>
<TD><p align="right"> 0.77</TD>
<TD><p align="right"> 0.68</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C5H8O2 </TD><TD><a href="data_molecules/acetylacetone_jmol.html">Acetylacetone</a></TD><TD><p align="right"> 9.15</TD>
<TD><p align="right"> 1.65</TD>
<TD><p align="right"> 1.25</TD>
<TD><p align="right"> 1.25</TD>
<TD><p align="right"> 1.26</TD>
<TD><p align="right"> 1.20</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C7H6O2 </TD><TD><a href="data_molecules/benzoic%20acid_jmol.html">Benzoic acid</a></TD><TD><p align="right"> 9.80</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.46</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CNH3O2 </TD><TD><a href="data_molecules/methyl%20nitrite_jmol.html">Methyl nitrite</a></TD><TD><p align="right"> 11.00</TD>
<TD><p align="right"> -0.58</TD>
<TD><p align="right"> -0.87</TD>
<TD><p align="right"> -0.87</TD>
<TD><p align="right"> -0.85</TD>
<TD><p align="right"> -0.58</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CNH3O2 </TD><TD><a href="data_molecules/nitromethane_jmol.html">Nitromethane</a></TD><TD><p align="right"> 11.30</TD>
<TD><p align="right"> -0.11</TD>
<TD><p align="right"> 0.10</TD>
<TD><p align="right"> 0.10</TD>
<TD><p align="right"> 0.12</TD>
<TD><p align="right"> -0.06</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3NH7O2 </TD><TD><a href="data_molecules/alanine_jmol.html">Alanine</a></TD><TD><p align="right"> 8.90</TD>
<TD><p align="right"> 0.64</TD>
<TD><p align="right"> 1.07</TD>
<TD><p align="right"> 1.07</TD>
<TD><p align="right"> 1.13</TD>
<TD><p align="right"> 1.07</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6NH5O2 </TD><TD><a href="data_molecules/nitrobenzene_jmol.html">Nitrobenzene</a></TD><TD><p align="right"> 9.90</TD>
<TD><p align="right"> 0.72</TD>
<TD><p align="right"> 0.72</TD>
<TD><p align="right"> 0.72</TD>
<TD><p align="right"> 0.72</TD>
<TD><p align="right"> 0.83</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> O3 </TD><TD><a href="data_molecules/ozone_jmol.html">Ozone</a></TD><TD><p align="right"> 12.75</TD>
<TD><p align="right"> -0.16</TD>
<TD><p align="right"> -1.22</TD>
<TD><p align="right"> -1.22</TD>
<TD><p align="right"> -1.22</TD>
<TD><p align="right"> -0.11</TD>
<TD><p align="center"> 8</TD></TR>
<TR> <TD> C7H6O3 </TD><TD><a href="data_molecules/o-salicylic%20acid_jmol.html">o-Salicylic acid</a></TD><TD><p align="right"> 9.80</TD>
<TD><p align="right"> -0.18</TD>
<TD><p align="right"> -0.20</TD>
<TD><p align="right"> -0.20</TD>
<TD><p align="right"> -0.21</TD>
<TD><p align="right"> -0.19</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H2O4 </TD><TD><a href="data_molecules/oxalic%20acid_jmol.html">Oxalic acid</a></TD><TD><p align="right"> 11.20</TD>
<TD><p align="right"> 0.26</TD>
<TD><p align="right"> 0.11</TD>
<TD><p align="right"> 0.11</TD>
<TD><p align="right"> 0.11</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> N2O4 </TD><TD><a href="data_molecules/dinitrogen%20tetroxide_jmol.html">Dinitrogen tetroxide</a></TD><TD><p align="right"> 11.40</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.20</TD>
<TD><p align="right"> -0.20</TD>
<TD><p align="right"> -0.23</TD>
<TD><p align="right"> -0.19</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> N2O5 </TD><TD><a href="data_molecules/dinitrogen%20pentoxide_jmol.html">Dinitrogen pentoxide</a></TD><TD><p align="right"> 12.30</TD>
<TD><p align="right"> -0.36</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.04</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> HF </TD><TD><a href="data_molecules/hydrogen%20fluoride_jmol.html">Hydrogen fluoride</a></TD><TD><p align="right"> 16.06</TD>
<TD><p align="right"> -1.30</TD>
<TD><p align="right"> -0.24</TD>
<TD><p align="right"> -0.24</TD>
<TD><p align="right"> -0.24</TD>
<TD><p align="right"> -0.26</TD>
<TD><p align="center"> 9</TD></TR>
<TR> <TD> CH3F </TD><TD><a href="data_molecules/fluoromethane_jmol.html">Fluoromethane</a></TD><TD><p align="right"> 13.31</TD>
<TD><p align="right"> -0.17</TD>
<TD><p align="right"> -0.09</TD>
<TD><p align="right"> -0.09</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> -0.14</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> C2HF </TD><TD><a href="data_molecules/fluoroacetylene_jmol.html">Fluoroacetylene</a></TD><TD><p align="right"> 11.30</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.29</TD>
<TD><p align="right"> 0.29</TD>
<TD><p align="right"> 0.29</TD>
<TD><p align="right"> 0.34</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H3F </TD><TD><a href="data_molecules/fluoroethylene_jmol.html">Fluoroethylene</a></TD><TD><p align="right"> 10.58</TD>
<TD><p align="right"> 0.17</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="right"> 0.26</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H5F </TD><TD><a href="data_molecules/fluoroethane_jmol.html">Fluoroethane</a></TD><TD><p align="right"> 12.43</TD>
<TD><p align="right"> 0.13</TD>
<TD><p align="right"> -0.27</TD>
<TD><p align="right"> -0.27</TD>
<TD><p align="right"> -0.27</TD>
<TD><p align="right"> -0.32</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H7F </TD><TD><a href="data_molecules/2-fluoropropane_jmol.html">2-Fluoropropane</a></TD><TD><p align="right"> 11.08</TD>
<TD><p align="right"> 1.31</TD>
<TD><p align="right"> 0.84</TD>
<TD><p align="right"> 0.84</TD>
<TD><p align="right"> 0.88</TD>
<TD><p align="right"> 0.86</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6H5F </TD><TD><a href="data_molecules/fluorobenzene_jmol.html">Fluorobenzene</a></TD><TD><p align="right"> 9.19</TD>
<TD><p align="right"> 0.63</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="right"> 0.75</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> NOF </TD><TD><a href="data_molecules/nitrosyl%20fluoride_jmol.html">Nitrosyl fluoride</a></TD><TD><p align="right"> 12.94</TD>
<TD><p align="right"> -1.32</TD>
<TD><p align="right"> -1.53</TD>
<TD><p align="right"> -1.53</TD>
<TD><p align="right"> -1.53</TD>
<TD><p align="right"> -1.13</TD>
<TD><p align="center"> 11</TD></TR>
<TR> <TD> C7H5O2F </TD><TD><a href="data_molecules/p-fluorobenzoic%20acid_jmol.html">p-Fluorobenzoic acid</a></TD><TD><p align="right"> 9.90</TD>
<TD><p align="right"> 0.36</TD>
<TD><p align="right"> 0.38</TD>
<TD><p align="right"> 0.38</TD>
<TD><p align="right"> 0.38</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> NO2F </TD><TD><a href="data_molecules/fluorine%20nitrite_jmol.html">Fluorine nitrite</a></TD><TD><p align="right"> 13.51</TD>
<TD><p align="right"> -1.01</TD>
<TD><p align="right"> -0.67</TD>
<TD><p align="right"> -0.67</TD>
<TD><p align="right"> -0.67</TD>
<TD><p align="right"> -0.77</TD>
<TD><p align="center"> 11</TD></TR>
<TR> <TD> CH2F2 </TD><TD><a href="data_molecules/difluoromethane_jmol.html">Difluoromethane</a></TD><TD><p align="right"> 13.17</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.02</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> C2F2 </TD><TD><a href="data_molecules/difluoroacetylene_jmol.html">Difluoroacetylene</a></TD><TD><p align="right"> 11.20</TD>
<TD><p align="right"> -0.01</TD>
<TD><p align="right"> 0.34</TD>
<TD><p align="right"> 0.34</TD>
<TD><p align="right"> 0.34</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H2F2 </TD><TD><a href="data_molecules/gem-difluoroethylene_jmol.html">gem-Difluoroethylene</a></TD><TD><p align="right"> 10.72</TD>
<TD><p align="right"> -0.06</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H4F2 </TD><TD><a href="data_molecules/1,1-difluoroethane_jmol.html">1,1-Difluoroethane</a></TD><TD><p align="right"> 12.80</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="right"> 0.10</TD>
<TD><p align="right"> 0.10</TD>
<TD><p align="right"> 0.15</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> N2F2 </TD><TD><a href="data_molecules/trans-difluorodiazene_jmol.html">trans-Difluorodiazene</a></TD><TD><p align="right"> 13.40</TD>
<TD><p align="right"> -1.78</TD>
<TD><p align="right"> -1.87</TD>
<TD><p align="right"> -1.87</TD>
<TD><p align="right"> -1.87</TD>
<TD><p align="right"> -1.26</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> OF2 </TD><TD><a href="data_molecules/difluorine%20oxide_jmol.html">Difluorine oxide</a></TD><TD><p align="right"> 13.26</TD>
<TD><p align="right"> -0.73</TD>
<TD><p align="right"> -2.06</TD>
<TD><p align="right"> -2.06</TD>
<TD><p align="right"> -2.06</TD>
<TD><p align="right"> -1.39</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> CHF3 </TD><TD><a href="data_molecules/trifluoromethane_jmol.html">Trifluoromethane</a></TD><TD><p align="right"> 14.80</TD>
<TD><p align="right"> -0.64</TD>
<TD><p align="right"> -0.27</TD>
<TD><p align="right"> -0.27</TD>
<TD><p align="right"> -0.27</TD>
<TD><p align="right"> -0.34</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2HF3 </TD><TD><a href="data_molecules/trifluoroethylene_jmol.html">Trifluoroethylene</a></TD><TD><p align="right"> 10.54</TD>
<TD><p align="right"> 0.20</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H3F3 </TD><TD><a href="data_molecules/1,1,1-trifluoroethane_jmol.html">1,1,1-Trifluoroethane</a></TD><TD><p align="right"> 13.80</TD>
<TD><p align="right"> 0.09</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.32</TD>
<TD><p align="right"> 0.27</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C7H5F3 </TD><TD><a href="data_molecules/trifluoromethylbenzene_jmol.html">Trifluoromethylbenzene</a></TD><TD><p align="right"> 9.68</TD>
<TD><p align="right"> 0.77</TD>
<TD><p align="right"> 0.62</TD>
<TD><p align="right"> 0.62</TD>
<TD><p align="right"> 0.62</TD>
<TD><p align="right"> 0.78</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> NF3 </TD><TD><a href="data_molecules/nitrogen%20trifluoride_jmol.html">Nitrogen trifluoride</a></TD><TD><p align="right"> 13.73</TD>
<TD><p align="right"> -0.86</TD>
<TD><p align="right"> -0.91</TD>
<TD><p align="right"> -0.91</TD>
<TD><p align="right"> -0.91</TD>
<TD><p align="right"> -0.33</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2HO2F3 </TD><TD><a href="data_molecules/trifluoroacetic%20acid_jmol.html">Trifluoroacetic acid</a></TD><TD><p align="right"> 12.00</TD>
<TD><p align="right"> 0.53</TD>
<TD><p align="right"> 0.27</TD>
<TD><p align="right"> 0.27</TD>
<TD><p align="right"> 0.27</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CF4 </TD><TD><a href="data_molecules/carbon%20tetrafluoride_jmol.html">Carbon tetrafluoride</a></TD><TD><p align="right"> 16.23</TD>
<TD><p align="right"> -0.76</TD>
<TD><p align="right"> -0.19</TD>
<TD><p align="right"> -0.19</TD>
<TD><p align="right"> -0.19</TD>
<TD><p align="right"> -0.14</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2F4 </TD><TD><a href="data_molecules/tetrafluoroethylene_jmol.html">Tetrafluoroethylene</a></TD><TD><p align="right"> 10.50</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="right"> 0.51</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> N2F4 </TD><TD><a href="data_molecules/tetrafluorohydrazine_jmol.html">Tetrafluorohydrazine</a></TD><TD><p align="right"> 12.00</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.82</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6HF5 </TD><TD><a href="data_molecules/pentafluorobenzene_jmol.html">Pentafluorobenzene</a></TD><TD><p align="right"> 9.75</TD>
<TD><p align="right"> 0.78</TD>
<TD><p align="right"> 0.83</TD>
<TD><p align="right"> 0.83</TD>
<TD><p align="right"> 0.83</TD>
<TD><p align="right"> 0.99</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2F6 </TD><TD><a href="data_molecules/hexafluoroethane_jmol.html">Hexafluoroethane</a></TD><TD><p align="right"> 14.60</TD>
<TD><p align="right"> -0.79</TD>
<TD><p align="right"> -0.23</TD>
<TD><p align="right"> -0.23</TD>
<TD><p align="right"> -0.24</TD>
<TD><p align="right"> -0.34</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6F6 </TD><TD><a href="data_molecules/hexafluorobenzene_jmol.html">Hexafluorobenzene</a></TD><TD><p align="right"> 10.90</TD>
<TD><p align="right"> -0.08</TD>
<TD><p align="right"> -0.02</TD>
<TD><p align="right"> -0.02</TD>
<TD><p align="right"> -0.02</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3OF6 </TD><TD><a href="data_molecules/perfluoroacetone_jmol.html">Perfluoroacetone</a></TD><TD><p align="right"> 12.10</TD>
<TD><p align="right"> 0.37</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> PH3 </TD><TD><a href="data_molecules/phosphine_jmol.html">Phosphine</a></TD><TD><p align="right"> 9.98</TD>
<TD><p align="right"> 0.01</TD>
<TD><p align="right"> -0.27</TD>
<TD><p align="right"> -0.27</TD>
<TD><p align="right"> -0.25</TD>
<TD><p align="right"> 1.21</TD>
<TD><p align="center"> 13</TD></TR>
<TR> <TD> CPH5 </TD><TD><a href="data_molecules/methylphosphine_jmol.html">Methylphosphine</a></TD><TD><p align="right"> 9.72</TD>
<TD><p align="right"> -0.19</TD>
<TD><p align="right"> -0.43</TD>
<TD><p align="right"> -0.43</TD>
<TD><p align="right"> -0.41</TD>
<TD><p align="right"> 0.55</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2PH7 </TD><TD><a href="data_molecules/dimethylphosphine_jmol.html">Dimethylphosphine</a></TD><TD><p align="right"> 9.10</TD>
<TD><p align="right"> 0.04</TD>
<TD><p align="right"> -0.18</TD>
<TD><p align="right"> -0.18</TD>
<TD><p align="right"> -0.16</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3PH9 </TD><TD><a href="data_molecules/trimethylphosphine_jmol.html">Trimethylphosphine</a></TD><TD><p align="right"> 8.60</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.04</TD>
<TD><p align="right"> 0.04</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="center"> 14</TD></TR>
<TR> <TD> C3PH9O3 </TD><TD><a href="data_molecules/trimethyl%20phosphite_jmol.html">Trimethyl phosphite</a></TD><TD><p align="right"> 9.00</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.58</TD>
<TD><p align="right"> 0.58</TD>
<TD><p align="right"> 0.61</TD>
<TD><p align="right"> 0.34</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> PF3 </TD><TD><a href="data_molecules/phosphorus%20trifluoride_jmol.html">Phosphorus trifluoride</a></TD><TD><p align="right"> 9.71</TD>
<TD><p align="right"> 1.68</TD>
<TD><p align="right"> 1.79</TD>
<TD><p align="right"> 1.79</TD>
<TD><p align="right"> 1.79</TD>
<TD><p align="right"> 1.74</TD>
<TD><p align="center"> 13</TD></TR>
<TR> <TD> POF3 </TD><TD><a href="data_molecules/phosphorus%20oxyfluoride_jmol.html">Phosphorus oxyfluoride</a></TD><TD><p align="right"> 12.77</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="right"> -1.14</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> H2S </TD><TD><a href="data_molecules/hydrogen%20sulfide%20(h2s)_jmol.html">Hydrogen sulfide (H2S)</a></TD><TD><p align="right"> 10.43</TD>
<TD><p align="right"> -1.40</TD>
<TD><p align="right"> -0.99</TD>
<TD><p align="right"> -0.99</TD>
<TD><p align="right"> -0.99</TD>
<TD><p align="right"> -1.06</TD>
<TD><p align="center"> 14</TD></TR>
<TR> <TD> CS </TD><TD><a href="data_molecules/carbon%20sulfide_jmol.html">Carbon sulfide</a></TD><TD><p align="right"> 11.30</TD>
<TD><p align="right"> -0.31</TD>
<TD><p align="right"> -0.70</TD>
<TD><p align="right"> -0.70</TD>
<TD><p align="right"> -0.70</TD>
<TD><p align="right"> -0.59</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CH2S </TD><TD><a href="data_molecules/thioformaldehyde_jmol.html">Thioformaldehyde</a></TD><TD><p align="right"> 9.34</TD>
<TD><p align="right"> -0.66</TD>
<TD><p align="right"> -0.45</TD>
<TD><p align="right"> -0.45</TD>
<TD><p align="right"> -0.45</TD>
<TD><p align="right"> -0.57</TD>
<TD><p align="center"> 15</TD></TR>
<TR> <TD> CH4S </TD><TD><a href="data_molecules/thiomethanol_jmol.html">Thiomethanol</a></TD><TD><p align="right"> 9.44</TD>
<TD><p align="right"> -0.70</TD>
<TD><p align="right"> -0.52</TD>
<TD><p align="right"> -0.52</TD>
<TD><p align="right"> -0.52</TD>
<TD><p align="right"> -0.58</TD>
<TD><p align="center"> 14</TD></TR>
<TR> <TD> C2H2S </TD><TD><a href="data_molecules/thioketene,%20h2ccs_jmol.html">Thioketene, H2CCS</a></TD><TD><p align="right"> 8.89</TD>
<TD><p align="right"> -0.35</TD>
<TD><p align="right"> 0.04</TD>
<TD><p align="right"> 0.04</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> -0.11</TD>
<TD><p align="center"> 16</TD></TR>
<TR> <TD> C2H4S </TD><TD><a href="data_molecules/thiirane_jmol.html">Thiirane</a></TD><TD><p align="right"> 8.87</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> 0.16</TD>
<TD><p align="right"> 0.16</TD>
<TD><p align="right"> 0.15</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="center"> 14</TD></TR>
<TR> <TD> C2H6S </TD><TD><a href="data_molecules/dimethyl%20thioether_jmol.html">Dimethyl thioether</a></TD><TD><p align="right"> 8.65</TD>