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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 || [];
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gtag('js', new Date());
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</script>
<TITLE> Errors in Dipole </TITLE></HEAD>
<H2 ALIGN="CENTER"> Errors in Dipole (D)</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> C3H4 </TD><TD><a href="data_molecules/cyclopropene_jmol.html">Cyclopropene</a></TD><TD><p align="right"> 0.45</TD>
<TD><p align="right"> -0.20</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"> -0.28</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H4 </TD><TD><a href="data_molecules/propyne_jmol.html">Propyne</a></TD><TD><p align="right"> 0.78</TD>
<TD><p align="right"> -0.09</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H6 </TD><TD><a href="data_molecules/propene_jmol.html">Propene</a></TD><TD><p align="right"> 0.37</TD>
<TD><p align="right"> -0.02</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="right"> 0.21</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H8 </TD><TD><a href="data_molecules/propane_jmol.html">Propane</a></TD><TD><p align="right"> 0.08</TD>
<TD><p align="right"> -0.06</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.02</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4H6 </TD><TD><a href="data_molecules/bicyclobutane_jmol.html">Bicyclobutane</a></TD><TD><p align="right"> 0.68</TD>
<TD><p align="right"> -0.39</TD>
<TD><p align="right"> -0.34</TD>
<TD><p align="right"> -0.34</TD>
<TD><p align="right"> -0.35</TD>
<TD><p align="right"> -0.37</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"> 0.13</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.29</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"> 0.42</TD>
<TD><p align="right"> 0.18</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.38</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"> 0.20</TD>
<TD><p align="right"> 0.10</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="right"> 0.26</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6H6 </TD><TD><a href="data_molecules/fulvene_jmol.html">Fulvene</a></TD><TD><p align="right"> 0.42</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> -0.15</TD>
<TD><p align="right"> -0.15</TD>
<TD><p align="right"> -0.15</TD>
<TD><p align="right"> 0.15</TD>
<TD><p align="center"> 2</TD></TR>
<TR> <TD> C7H8 </TD><TD><a href="data_molecules/toluene_jmol.html">Toluene</a></TD><TD><p align="right"> 0.36</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="right"> 0.32</TD>
<TD><p align="right"> 0.28</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"> 1.47</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.67</TD>
<TD><p align="right"> 0.67</TD>
<TD><p align="right"> 0.78</TD>
<TD><p align="right"> 0.71</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CNH </TD><TD><a href="data_molecules/hydrogen%20cyanide_jmol.html">Hydrogen cyanide</a></TD><TD><p align="right"> 2.98</TD>
<TD><p align="right"> -0.93</TD>
<TD><p align="right"> -0.33</TD>
<TD><p align="right"> -0.33</TD>
<TD><p align="right"> -0.33</TD>
<TD><p align="right"> -0.21</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CNH5 </TD><TD><a href="data_molecules/methylamine_jmol.html">Methylamine</a></TD><TD><p align="right"> 1.31</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="right"> 0.66</TD>
<TD><p align="right"> 0.66</TD>
<TD><p align="right"> 0.72</TD>
<TD><p align="right"> 0.70</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"> 3.92</TD>
<TD><p align="right"> -1.01</TD>
<TD><p align="right"> -0.14</TD>
<TD><p align="right"> -0.14</TD>
<TD><p align="right"> -0.09</TD>
<TD><p align="right"> 0.01</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"> 3.85</TD>
<TD><p align="right"> -0.90</TD>
<TD><p align="right"> -0.53</TD>
<TD><p align="right"> -0.53</TD>
<TD><p align="right"> -0.51</TD>
<TD><p align="right"> -1.03</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"> 1.90</TD>
<TD><p align="right"> -0.08</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="right"> 0.33</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"> 1.03</TD>
<TD><p align="right"> 0.59</TD>
<TD><p align="right"> 0.76</TD>
<TD><p align="right"> 0.76</TD>
<TD><p align="right"> 0.81</TD>
<TD><p align="right"> 0.84</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2NH7 </TD><TD><a href="data_molecules/ethylamine_jmol.html">Ethylamine</a></TD><TD><p align="right"> 1.22</TD>
<TD><p align="right"> 0.47</TD>
<TD><p align="right"> 0.74</TD>
<TD><p align="right"> 0.74</TD>
<TD><p align="right"> 0.83</TD>
<TD><p align="right"> 0.82</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"> 3.72</TD>
<TD><p align="right"> -0.84</TD>
<TD><p align="right"> -0.20</TD>
<TD><p align="right"> -0.20</TD>
<TD><p align="right"> -0.20</TD>
<TD><p align="right"> 0.01</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"> 3.87</TD>
<TD><p align="right"> -0.96</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"> -0.07</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"> 0.61</TD>
<TD><p align="right"> 0.92</TD>
<TD><p align="right"> 1.03</TD>
<TD><p align="right"> 1.03</TD>
<TD><p align="right"> 1.08</TD>
<TD><p align="right"> 1.14</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C4NH5 </TD><TD><a href="data_molecules/pyrrole_jmol.html">Pyrrole</a></TD><TD><p align="right"> 1.74</TD>
<TD><p align="right"> 0.41</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"> 0.52</TD>
<TD><p align="center"> 3</TD></TR>
<TR> <TD> C5NH5 </TD><TD><a href="data_molecules/pyridine_jmol.html">Pyridine</a></TD><TD><p align="right"> 2.22</TD>
<TD><p align="right"> -0.12</TD>
<TD><p align="right"> 0.13</TD>
<TD><p align="right"> 0.13</TD>
<TD><p align="right"> 0.13</TD>
<TD><p align="right"> 0.16</TD>
<TD><p align="center"> 4</TD></TR>
<TR> <TD> C6NH7 </TD><TD><a href="data_molecules/aniline_jmol.html">Aniline</a></TD><TD><p align="right"> 1.53</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="right"> 0.28</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"> 1.50</TD>
<TD><p align="right"> -0.32</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> CN2H2 </TD><TD><a href="data_molecules/n=n-ch2-_jmol.html">N=N-CH2-</a></TD><TD><p align="right"> 1.59</TD>
<TD><p align="right"> -0.16</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"> 0.44</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"> 1.66</TD>
<TD><p align="right"> -1.31</TD>
<TD><p align="right"> -0.91</TD>
<TD><p align="right"> -0.91</TD>
<TD><p align="right"> -0.89</TD>
<TD><p align="right"> -0.88</TD>
<TD><p align="center"> 5</TD></TR>
<TR> <TD> CN3H3 </TD><TD><a href="data_molecules/methyl%20azide_jmol.html">Methyl Azide</a></TD><TD><p align="right"> 2.17</TD>
<TD><p align="right"> -0.18</TD>
<TD><p align="right"> 1.03</TD>
<TD><p align="right"> 1.03</TD>
<TD><p align="right"> 1.03</TD>
<TD><p align="right"> 1.02</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"> 1.85</TD>
<TD><p align="right"> 0.20</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="right"> 0.28</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CO </TD><TD><a href="data_molecules/carbon%20monoxide_jmol.html">Carbon monoxide</a></TD><TD><p align="right"> 0.11</TD>
<TD><p align="right"> 0.84</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.64</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"> 2.33</TD>
<TD><p align="right"> 0.46</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.34</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"> 1.70</TD>
<TD><p align="right"> 0.30</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"> 0.24</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"> 1.42</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> -0.57</TD>
<TD><p align="right"> -0.57</TD>
<TD><p align="right"> -0.54</TD>
<TD><p align="right"> -0.61</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"> 2.69</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.52</TD>
<TD><p align="right"> 0.39</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"> 1.89</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> -0.02</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H6O </TD><TD><a href="data_molecules/dimethyl%20ether_jmol.html">Dimethyl ether</a></TD><TD><p align="right"> 1.30</TD>
<TD><p align="right"> 0.53</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"> 0.32</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"> 1.69</TD>
<TD><p align="right"> 0.20</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"> 0.12</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H2O </TD><TD><a href="data_molecules/propynal_jmol.html">Propynal</a></TD><TD><p align="right"> 2.47</TD>
<TD><p align="right"> 0.79</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"> 0.48</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"> 3.12</TD>
<TD><p align="right"> -0.15</TD>
<TD><p align="right"> -0.24</TD>
<TD><p align="right"> -0.24</TD>
<TD><p align="right"> -0.25</TD>
<TD><p align="right"> -0.42</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"> 2.88</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.58</TD>
<TD><p align="right"> 0.58</TD>
<TD><p align="right"> 0.64</TD>
<TD><p align="right"> 0.48</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"> 0.66</TD>
<TD><p align="right"> -0.01</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"> -0.53</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"> 1.15</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="right"> 0.34</TD>
<TD><p align="right"> 0.34</TD>
<TD><p align="right"> 0.31</TD>
<TD><p align="right"> 0.14</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6H6O </TD><TD><a href="data_molecules/phenol_jmol.html">Phenol</a></TD><TD><p align="right"> 1.45</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.10</TD>
<TD><p align="right"> -0.10</TD>
<TD><p align="right"> -0.09</TD>
<TD><p align="right"> -0.14</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"> 1.38</TD>
<TD><p align="right"> 0.09</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"> 0.07</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3NH7O </TD><TD><a href="data_molecules/dimethylformamide_jmol.html">Dimethylformamide</a></TD><TD><p align="right"> 3.82</TD>
<TD><p align="right"> 0.55</TD>
<TD><p align="right"> 0.68</TD>
<TD><p align="right"> 0.68</TD>
<TD><p align="right"> 0.69</TD>
<TD><p align="right"> 0.58</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> N2O </TD><TD><a href="data_molecules/nitrous%20oxide_jmol.html">Nitrous oxide</a></TD><TD><p align="right"> 0.17</TD>
<TD><p align="right"> 0.69</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"> 0.35</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CH2O2 </TD><TD><a href="data_molecules/formic%20acid_jmol.html">Formic acid</a></TD><TD><p align="right"> 1.41</TD>
<TD><p align="right"> 0.01</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="right"> -0.02</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"> 1.74</TD>
<TD><p align="right"> 0.20</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.33</TD>
<TD><p align="right"> 0.25</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"> 1.77</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> -0.07</TD>
<TD><p align="right"> -0.11</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"> 1.72</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.25</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"> 1.75</TD>
<TD><p align="right"> 0.16</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"> 0.09</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> NHO2 </TD><TD><a href="data_molecules/nitrous%20acid,%20cis_jmol.html">Nitrous acid, cis</a></TD><TD><p align="right"> 1.42</TD>
<TD><p align="right"> -0.26</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"> 0.24</TD>
<TD><p align="center"> 6</TD></TR>
<TR> <TD> NHO2 </TD><TD><a href="data_molecules/nitrous%20acid,%20trans_jmol.html">Nitrous acid, trans</a></TD><TD><p align="right"> 1.86</TD>
<TD><p align="right"> 0.37</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.32</TD>
<TD><p align="center"> 6</TD></TR>
<TR> <TD> O3 </TD><TD><a href="data_molecules/ozone_jmol.html">Ozone</a></TD><TD><p align="right"> 0.53</TD>
<TD><p align="right"> 1.37</TD>
<TD><p align="right"> 1.08</TD>
<TD><p align="right"> 1.08</TD>
<TD><p align="right"> 1.08</TD>
<TD><p align="right"> 1.87</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> NHO3 </TD><TD><a href="data_molecules/nitric%20acid_jmol.html">Nitric acid</a></TD><TD><p align="right"> 2.17</TD>
<TD><p align="right"> -0.14</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"> -0.27</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"> 1.83</TD>
<TD><p align="right"> -0.61</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"> -0.38</TD>
<TD><p align="center"> 7</TD></TR>
<TR> <TD> CH3F </TD><TD><a href="data_molecules/fluoromethane_jmol.html">Fluoromethane</a></TD><TD><p align="right"> 1.86</TD>
<TD><p align="right"> -0.19</TD>
<TD><p align="right"> -0.22</TD>
<TD><p align="right"> -0.22</TD>
<TD><p align="right"> -0.21</TD>
<TD><p align="right"> -0.06</TD>
<TD><p align="center"> 8</TD></TR>
<TR> <TD> C2HF </TD><TD><a href="data_molecules/fluoroacetylene_jmol.html">Fluoroacetylene</a></TD><TD><p align="right"> 0.70</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"> -0.18</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="center"> 9</TD></TR>
<TR> <TD> C2H3F </TD><TD><a href="data_molecules/fluoroethylene_jmol.html">Fluoroethylene</a></TD><TD><p align="right"> 1.43</TD>
<TD><p align="right"> 0.01</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"> 0.06</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> C2H5F </TD><TD><a href="data_molecules/fluoroethane_jmol.html">Fluoroethane</a></TD><TD><p align="right"> 1.96</TD>
<TD><p align="right"> -0.11</TD>
<TD><p align="right"> -0.15</TD>
<TD><p align="right"> -0.15</TD>
<TD><p align="right"> -0.13</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> C6H5F </TD><TD><a href="data_molecules/fluorobenzene_jmol.html">Fluorobenzene</a></TD><TD><p align="right"> 1.66</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> CNF </TD><TD><a href="data_molecules/cyanogen%20fluoride_jmol.html">Cyanogen fluoride</a></TD><TD><p align="right"> 2.17</TD>
<TD><p align="right"> -0.89</TD>
<TD><p align="right"> -0.25</TD>
<TD><p align="right"> -0.25</TD>
<TD><p align="right"> -0.25</TD>
<TD><p align="right"> -0.28</TD>
<TD><p align="center"> 9</TD></TR>
<TR> <TD> HOF </TD><TD><a href="data_molecules/hypofluorous%20acid_jmol.html">Hypofluorous acid</a></TD><TD><p align="right"> 2.23</TD>
<TD><p align="right"> -0.67</TD>
<TD><p align="right"> -0.60</TD>
<TD><p align="right"> -0.60</TD>
<TD><p align="right"> -0.60</TD>
<TD><p align="right"> -0.75</TD>
<TD><p align="center"> 11</TD></TR>
<TR> <TD> CHOF </TD><TD><a href="data_molecules/hcof_jmol.html">HCOF</a></TD><TD><p align="right"> 2.02</TD>
<TD><p align="right"> 0.33</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"> 0.57</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> NOF </TD><TD><a href="data_molecules/nitrosyl%20fluoride_jmol.html">Nitrosyl fluoride</a></TD><TD><p align="right"> 1.81</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"> -0.67</TD>
<TD><p align="right"> -0.64</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> NO2F </TD><TD><a href="data_molecules/fluorine%20nitrite_jmol.html">Fluorine nitrite</a></TD><TD><p align="right"> 0.47</TD>
<TD><p align="right"> -0.31</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"> -0.24</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> CH2F2 </TD><TD><a href="data_molecules/difluoromethane_jmol.html">Difluoromethane</a></TD><TD><p align="right"> 1.96</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="center"> 10</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"> 2.30</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.11</TD>
<TD><p align="right"> 0.11</TD>
<TD><p align="right"> 0.13</TD>
<TD><p align="right"> 0.23</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> N2F2 </TD><TD><a href="data_molecules/cis-difluorodiazene_jmol.html">cis-Difluorodiazene</a></TD><TD><p align="right"> 0.16</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.90</TD>
<TD><p align="right"> 0.90</TD>
<TD><p align="right"> 0.90</TD>
<TD><p align="right"> 0.77</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"> 0.30</TD>
<TD><p align="right"> -0.01</TD>
<TD><p align="right"> 0.31</TD>
<TD><p align="right"> 0.31</TD>
<TD><p align="right"> 0.31</TD>
<TD><p align="right"> -0.16</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> COF2 </TD><TD><a href="data_molecules/carbonyl%20fluoride_jmol.html">Carbonyl fluoride</a></TD><TD><p align="right"> 0.95</TD>
<TD><p align="right"> -0.03</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"> -0.20</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"> 1.65</TD>
<TD><p align="right"> 0.10</TD>
<TD><p align="right"> 0.31</TD>
<TD><p align="right"> 0.31</TD>
<TD><p align="right"> 0.31</TD>
<TD><p align="right"> 0.52</TD>
<TD><p align="center"> 8</TD></TR>
<TR> <TD> C2HF3 </TD><TD><a href="data_molecules/trifluoroethylene_jmol.html">Trifluoroethylene</a></TD><TD><p align="right"> 1.30</TD>
<TD><p align="right"> -0.06</TD>
<TD><p align="right"> -0.10</TD>
<TD><p align="right"> -0.10</TD>
<TD><p align="right"> -0.09</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="center"> 13</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"> 2.32</TD>
<TD><p align="right"> 0.31</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.47</TD>
<TD><p align="right"> 0.55</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> NF3 </TD><TD><a href="data_molecules/nitrogen%20trifluoride_jmol.html">Nitrogen trifluoride</a></TD><TD><p align="right"> 0.24</TD>
<TD><p align="right"> 0.24</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> C2NF3 </TD><TD><a href="data_molecules/trifluoroacetonitrile_jmol.html">Trifluoroacetonitrile</a></TD><TD><p align="right"> 1.26</TD>
<TD><p align="right"> -0.97</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="right"> -0.69</TD>
<TD><p align="center"> 14</TD></TR>
<TR> <TD> C2HO2F3 </TD><TD><a href="data_molecules/trifluoroacetic%20acid_jmol.html">Trifluoroacetic acid</a></TD><TD><p align="right"> 2.28</TD>
<TD><p align="right"> -0.23</TD>
<TD><p align="right"> -0.33</TD>
<TD><p align="right"> -0.33</TD>
<TD><p align="right"> -0.33</TD>
<TD><p align="right"> -0.13</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> PH3 </TD><TD><a href="data_molecules/phosphine_jmol.html">Phosphine</a></TD><TD><p align="right"> 0.58</TD>
<TD><p align="right"> 0.64</TD>
<TD><p align="right"> 1.49</TD>
<TD><p align="right"> 1.49</TD>
<TD><p align="right"> 1.49</TD>
<TD><p align="right"> 1.79</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CPH </TD><TD><a href="data_molecules/methinophosphide_jmol.html">Methinophosphide</a></TD><TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.04</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"> 0.86</TD>
<TD><p align="center"> 15</TD></TR>
<TR> <TD> CPH5 </TD><TD><a href="data_molecules/methylphosphine_jmol.html">Methylphosphine</a></TD><TD><p align="right"> 1.10</TD>
<TD><p align="right"> 0.13</TD>
<TD><p align="right"> 0.74</TD>
<TD><p align="right"> 0.74</TD>
<TD><p align="right"> 0.75</TD>
<TD><p align="right"> 1.71</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> C2PH7 </TD><TD><a href="data_molecules/dimethylphosphine_jmol.html">Dimethylphosphine</a></TD><TD><p align="right"> 1.23</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> 0.45</TD>
<TD><p align="right"> 0.45</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 1.83</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> C3PH9 </TD><TD><a href="data_molecules/trimethylphosphine_jmol.html">Trimethylphosphine</a></TD><TD><p align="right"> 1.19</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="right"> 0.21</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="right"> 1.76</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> PN </TD><TD><a href="data_molecules/phosphorus%20nitride_jmol.html">Phosphorus nitride</a></TD><TD><p align="right"> 1.88</TD>
<TD><p align="right"> 0.76</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"> 0.52</TD>
<TD><p align="center"> 15</TD></TR>
<TR> <TD> CPH2F </TD><TD><a href="data_molecules/ch2=p-f_jmol.html">CH2=P-F</a></TD><TD><p align="right"> 1.35</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 1.38</TD>
<TD><p align="center"> 16</TD></TR>
<TR> <TD> PF3 </TD><TD><a href="data_molecules/phosphorus%20trifluoride_jmol.html">Phosphorus trifluoride</a></TD><TD><p align="right"> 1.03</TD>
<TD><p align="right"> 0.84</TD>
<TD><p align="right"> 0.74</TD>
<TD><p align="right"> 0.74</TD>
<TD><p align="right"> 0.74</TD>
<TD><p align="right"> 0.80</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> POF3 </TD><TD><a href="data_molecules/phosphorus%20oxyfluoride_jmol.html">Phosphorus oxyfluoride</a></TD><TD><p align="right"> 1.76</TD>
<TD><p align="right"> 0.16</TD>
<TD><p align="right"> -0.13</TD>
<TD><p align="right"> -0.13</TD>
<TD><p align="right"> -0.13</TD>
<TD><p align="right"> -1.59</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> P2H4 </TD><TD><a href="data_molecules/p2h4_jmol.html">P2H4</a></TD><TD><p align="right"> 0.92</TD>
<TD><p align="right"> -0.88</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"> -0.91</TD>
<TD><p align="center"> 17</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"> 0.97</TD>
<TD><p align="right"> 0.52</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.48</TD>
<TD><p align="right"> 0.45</TD>
<TD><p align="right"> 0.82</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> CS </TD><TD><a href="data_molecules/carbon%20sulfide_jmol.html">Carbon sulfide</a></TD><TD><p align="right"> 0.68</TD>
<TD><p align="right"> -0.67</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.44</TD>
<TD><p align="right"> -0.49</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> CH2S </TD><TD><a href="data_molecules/thioformaldehyde_jmol.html">Thioformaldehyde</a></TD><TD><p align="right"> 1.65</TD>
<TD><p align="right"> -0.07</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"> -0.18</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> CH4S </TD><TD><a href="data_molecules/thiomethanol_jmol.html">Thiomethanol</a></TD><TD><p align="right"> 1.52</TD>
<TD><p align="right"> 0.19</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.26</TD>
<TD><p align="right"> 0.41</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> C2H6S </TD><TD><a href="data_molecules/dimethyl%20thioether_jmol.html">Dimethyl thioether</a></TD><TD><p align="right"> 1.50</TD>
<TD><p align="right"> 0.29</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.30</TD>
<TD><p align="right"> 0.32</TD>
<TD><p align="right"> 0.34</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> C2H6S </TD><TD><a href="data_molecules/thioethanol_jmol.html">Thioethanol</a></TD><TD><p align="right"> 1.52</TD>
<TD><p align="right"> 0.30</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"> 0.44</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> C4H4S </TD><TD><a href="data_molecules/thiophene_jmol.html">Thiophene</a></TD><TD><p align="right"> 0.53</TD>
<TD><p align="right"> -0.10</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"> -0.17</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> C2NH3S </TD><TD><a href="data_molecules/methyl%20isothiocyanate_jmol.html">Methyl isothiocyanate</a></TD><TD><p align="right"> 4.03</TD>
<TD><p align="right"> -0.94</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="right"> 0.50</TD>
<TD><p align="right"> 0.45</TD>
<TD><p align="right"> 0.70</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> CSO </TD><TD><a href="data_molecules/carbon%20oxysulfide_jmol.html">Carbon oxysulfide</a></TD><TD><p align="right"> 0.71</TD>
<TD><p align="right"> -0.10</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"> -0.64</TD>
<TD><p align="center"> 10</TD></TR>
<TR> <TD> C2H6SO </TD><TD><a href="data_molecules/dimethyl%20sulfoxide_jmol.html">Dimethyl sulfoxide</a></TD><TD><p align="right"> 3.96</TD>
<TD><p align="right"> 0.83</TD>
<TD><p align="right"> 0.72</TD>
<TD><p align="right"> 0.72</TD>
<TD><p align="right"> 0.74</TD>
<TD><p align="right"> 0.65</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> SO2 </TD><TD><a href="data_molecules/sulfur%20dioxide_jmol.html">Sulfur dioxide</a></TD><TD><p align="right"> 1.58</TD>
<TD><p align="right"> -1.42</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"> 0.94</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> SF2 </TD><TD><a href="data_molecules/sulfur%20difluoride_jmol.html">Sulfur difluoride</a></TD><TD><p align="right"> 1.05</TD>
<TD><p align="right"> 0.86</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.75</TD>
<TD><p align="center"> 15</TD></TR>
<TR> <TD> C2H6S2 </TD><TD><a href="data_molecules/2,3-dithiabutane_jmol.html">2,3-Dithiabutane</a></TD><TD><p align="right"> 1.98</TD>
<TD><p align="right"> 0.09</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="right"> 0.25</TD>
<TD><p align="right"> 0.33</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> HCl </TD><TD><a href="data_molecules/hydrogen%20chloride_jmol.html">Hydrogen chloride</a></TD><TD><p align="right"> 1.12</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.63</TD>
<TD><p align="center"> 18</TD></TR>
<TR> <TD> CH3Cl </TD><TD><a href="data_molecules/methyl%20chloride_jmol.html">Methyl chloride</a></TD><TD><p align="right"> 1.89</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="right"> 0.20</TD>
<TD><p align="center"> 15</TD></TR>
<TR> <TD> C2HCl </TD><TD><a href="data_molecules/chloroacetylene_jmol.html">Chloroacetylene</a></TD><TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.60</TD>
<TD><p align="right"> -0.23</TD>
<TD><p align="right"> -0.23</TD>
<TD><p align="right"> -0.23</TD>
<TD><p align="right"> 0.16</TD>
<TD><p align="center"> 19</TD></TR>
<TR> <TD> CNCl </TD><TD><a href="data_molecules/cyanogen%20chloride_jmol.html">Cyanogen chloride</a></TD><TD><p align="right"> 2.80</TD>
<TD><p align="right"> -1.40</TD>
<TD><p align="right"> -0.24</TD>
<TD><p align="right"> -0.27</TD>
<TD><p align="right"> -0.24</TD>
<TD><p align="right"> -0.43</TD>
<TD><p align="center"> 15</TD></TR>
<TR> <TD> ClO </TD><TD><a href="data_molecules/chlorine%20oxide_jmol.html">Chlorine oxide</a></TD><TD><p align="right"> 1.24</TD>
<TD><p align="right"> 1.27</TD>
<TD><p align="right"> 1.72</TD>
<TD><p align="right"> -0.93</TD>
<TD><p align="right"> 1.72</TD>
<TD><p align="right"> 1.17</TD>
<TD><p align="center"> 12</TD></TR>
<TR> <TD> NClO </TD><TD><a href="data_molecules/nitrosyl%20chloride_jmol.html">Nitrosyl chloride</a></TD><TD><p align="right"> 1.86</TD>
<TD><p align="right"> 0.01</TD>
<TD><p align="right"> -0.54</TD>
<TD><p align="right"> 6.23</TD>
<TD><p align="right"> -0.54</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="center"> 15</TD></TR>
<TR> <TD> ClF </TD><TD><a href="data_molecules/chlorine%20fluoride_jmol.html">Chlorine fluoride</a></TD><TD><p align="right"> 0.88</TD>
<TD><p align="right"> -0.77</TD>
<TD><p align="right"> -0.78</TD>
<TD><p align="right"> -0.78</TD>
<TD><p align="right"> -0.78</TD>
<TD><p align="right"> -0.70</TD>
<TD><p align="center"> 20</TD></TR>
<TR> <TD> HBr </TD><TD><a href="data_molecules/hydrogen%20bromide_jmol.html">Hydrogen bromide</a></TD><TD><p align="right"> 0.83</TD>
<TD><p align="right"> 0.46</TD>
<TD><p align="right"> 0.33</TD>
<TD><p align="right"> 0.33</TD>
<TD><p align="right"> 0.33</TD>
<TD><p align="right"> 0.81</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CH3Br </TD><TD><a href="data_molecules/bromomethane_jmol.html">Bromomethane</a></TD><TD><p align="right"> 1.82</TD>
<TD><p align="right"> -0.05</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"> -0.03</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2HBr </TD><TD><a href="data_molecules/bromoacetylene_jmol.html">Bromoacetylene</a></TD><TD><p align="right"> 0.00</TD>
<TD><p align="right"> 0.40</TD>
<TD><p align="right"> 0.12</TD>
<TD><p align="right"> 0.12</TD>
<TD><p align="right"> 0.12</TD>
<TD><p align="right"> 0.47</TD>
<TD><p align="center"> 19</TD></TR>
<TR> <TD> C2H3Br </TD><TD><a href="data_molecules/bromoethylene_jmol.html">Bromoethylene</a></TD><TD><p align="right"> 1.42</TD>
<TD><p align="right"> 0.18</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"> 0.27</TD>
<TD><p align="center"> 20</TD></TR>
<TR> <TD> C2H5Br </TD><TD><a href="data_molecules/bromoethane_jmol.html">Bromoethane</a></TD><TD><p align="right"> 2.03</TD>
<TD><p align="right"> 0.12</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> 0.18</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H7Br </TD><TD><a href="data_molecules/1-bromopropane_jmol.html">1-Bromopropane</a></TD><TD><p align="right"> 2.18</TD>
<TD><p align="right"> 0.03</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.05</TD>
<TD><p align="right"> -0.04</TD>
<TD><p align="right"> 0.11</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6H5Br </TD><TD><a href="data_molecules/bromobenzene_jmol.html">Bromobenzene</a></TD><TD><p align="right"> 1.70</TD>
<TD><p align="right"> 0.16</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"> 0.24</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> BrO </TD><TD><a href="data_molecules/bromine%20oxide_jmol.html">Bromine oxide</a></TD><TD><p align="right"> 1.61</TD>
<TD><p align="right"> 0.39</TD>
<TD><p align="right"> 0.33</TD>
<TD><p align="right"> -0.50</TD>
<TD><p align="right"> 0.33</TD>
<TD><p align="right"> -0.34</TD>
<TD><p align="center"> 21</TD></TR>
<TR> <TD> C2H3BrO </TD><TD><a href="data_molecules/acetyl%20bromide_jmol.html">Acetyl bromide</a></TD><TD><p align="right"> 2.43</TD>
<TD><p align="right"> 0.93</TD>
<TD><p align="right"> 0.90</TD>
<TD><p align="right"> 0.89</TD>
<TD><p align="right"> 0.94</TD>
<TD><p align="right"> 1.04</TD>
<TD><p align="center"> 20</TD></TR>
<TR> <TD> BrF </TD><TD><a href="data_molecules/bromine%20fluoride_jmol.html">Bromine fluoride</a></TD><TD><p align="right"> 1.42</TD>
<TD><p align="right"> 0.03</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"> -0.28</TD>
<TD><p align="center"> 20</TD></TR>
<TR> <TD> CBrF3 </TD><TD><a href="data_molecules/bromotrifluoromethane_jmol.html">Bromotrifluoromethane</a></TD><TD><p align="right"> 0.65</TD>
<TD><p align="right"> 0.07</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="right"> 0.35</TD>
<TD><p align="right"> 0.17</TD>
<TD><p align="center"> 22</TD></TR>
<TR> <TD> CH2Br2 </TD><TD><a href="data_molecules/dibromomethane_jmol.html">Dibromomethane</a></TD><TD><p align="right"> 1.43</TD>
<TD><p align="right"> 0.11</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"> 0.23</TD>
<TD><p align="center"> 20</TD></TR>
<TR> <TD> CBr2F2 </TD><TD><a href="data_molecules/difluorodibromomethane_jmol.html">Difluorodibromomethane</a></TD><TD><p align="right"> 0.66</TD>
<TD><p align="right"> 0.01</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> -0.03</TD>
<TD><p align="right"> 0.01</TD>
<TD><p align="center"> 20</TD></TR>
<TR> <TD> CHBr3 </TD><TD><a href="data_molecules/bromoform_jmol.html">Bromoform</a></TD><TD><p align="right"> 0.99</TD>
<TD><p align="right"> 0.06</TD>
<TD><p align="right"> 0.00</TD>
<TD><p align="right"> 0.00</TD>
<TD><p align="right"> 0.00</TD>
<TD><p align="right"> 0.22</TD>
<TD><p align="center"> 20</TD></TR>
<TR> <TD> HI </TD><TD><a href="data_molecules/hydrogen%20iodide_jmol.html">Hydrogen iodide</a></TD><TD><p align="right"> 0.44</TD>
<TD><p align="right"> 0.29</TD>
<TD><p align="right"> 0.64</TD>
<TD><p align="right"> 0.64</TD>
<TD><p align="right"> 0.64</TD>
<TD><p align="right"> 1.80</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CH3I </TD><TD><a href="data_molecules/methyl%20iodide_jmol.html">Methyl iodide</a></TD><TD><p align="right"> 1.65</TD>
<TD><p align="right"> -0.05</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"> 0.38</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C2H5I </TD><TD><a href="data_molecules/iodoethane_jmol.html">Iodoethane</a></TD><TD><p align="right"> 1.91</TD>
<TD><p align="right"> 0.08</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"> 0.54</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C3H7I </TD><TD><a href="data_molecules/1-iodopropane_jmol.html">1-Iodopropane</a></TD><TD><p align="right"> 2.04</TD>
<TD><p align="right"> 0.05</TD>
<TD><p align="right"> -0.16</TD>
<TD><p align="right"> -0.16</TD>
<TD><p align="right"> -0.16</TD>
<TD><p align="right"> 0.53</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> C6H5I </TD><TD><a href="data_molecules/iodobenzene_jmol.html">Iodobenzene</a></TD><TD><p align="right"> 1.70</TD>
<TD><p align="right"> 0.40</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="right"> 0.56</TD>
<TD><p align="center"> 1</TD></TR>
<TR> <TD> CIF3 </TD><TD><a href="data_molecules/trifluoroiodomethane_jmol.html">Trifluoroiodomethane</a></TD><TD><p align="right"> 1.00</TD>
<TD><p align="right"> 0.28</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.49</TD>
<TD><p align="right"> 0.43</TD>
<TD><p align="center"> 23</TD></TR>
<TR> <TD> CH2I2 </TD><TD><a href="data_molecules/diiodomethane_jmol.html">Diiodomethane</a></TD><TD><p align="right"> 1.62</TD>
<TD><p align="right"> -0.43</TD>
<TD><p align="right"> -0.66</TD>
<TD><p align="right"> -0.66</TD>
<TD><p align="right"> -0.65</TD>
<TD><p align="right"> 0.08</TD>
<TD><p align="center"> 1</TD></TR>
</TABLE> <BR>
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