forked from comp-chem/NWChem-C
263 lines
7.7 KiB
Text
263 lines
7.7 KiB
Text
# This is an automatically generated segment file
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#
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4.600000
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20 20 36 53 0 0 1 1
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0.000000
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1 C1 3 0 0 1 1
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AC -0.369034 0.000000
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2 H1 0 0 0 1 1
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H2 0.361771 0.000000
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3 OR 0 0 0 1 1
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OS -0.196302 0.000000
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4 C2 0 0 0 1 1
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CT -0.037888 0.000000
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5 H2 0 0 0 1 1
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H1 0.040713 0.000000
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6 O2 0 0 0 1 1
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OH -0.513798 0.000000
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7 HO2 0 0 0 1 1
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HO 0.499911 0.000000
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8 C3 0 0 0 1 1
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CT 0.050318 0.000000
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9 H3 0 0 0 1 1
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H1 0.141515 0.000000
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10 O3 4 0 0 1 1
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OG -0.186064 0.000000
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11 C4 0 0 0 1 1
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CT 0.242973 0.000000
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12 H4 0 0 0 1 1
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H1 0.131167 0.000000
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13 O4 0 0 0 1 1
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OH -0.633238 0.000000
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14 HO4 0 0 0 1 1
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HO 0.376917 0.000000
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15 C5 0 0 0 1 1
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CT 0.007763 0.000000
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16 H5 0 0 0 1 1
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H1 0.083275 0.000000
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17 C6 0 0 0 1 1
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182H6 0 0 0 1 1
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HC 0.039908 0.000000
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193H6 0 0 0 1 1
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204H6 0 0 0 1 1
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