http://localhost/chemistry_webserver_documents/classes/structure/jsmol/gas/C4... __Jmol-14_06192313163D 1 1.00000 0.00000 0 Jmol version 14.32.82 2022-12-16 09:27 EXTRACT: ({0:11}) 12 12 0 0 0 0 999 V2000 -0.9420 -0.5352 -0.0007 C 0 0 1 0 0 0 0.5282 -0.9298 0.1759 C 0 0 2 0 0 0 0.9419 0.5360 0.0069 C 0 0 2 0 0 0 -0.5272 0.9288 -0.1823 C 0 0 2 0 0 0 0.9107 -1.5971 -0.6027 H 0 0 0 0 0 0 0.7653 -1.3539 1.1566 H 0 0 0 0 0 0 -1.4244 -0.9781 -0.8775 H 0 0 0 0 0 0 -1.5654 -0.7193 0.8799 H 0 0 0 0 0 0 -0.9146 1.6047 0.5863 H 0 0 0 0 0 0 -0.7581 1.3420 -1.1693 H 0 0 0 0 0 0 1.5746 0.7271 -0.8654 H 0 0 0 0 0 0 1.4136 0.9745 0.8919 H 0 0 0 0 0 0 1 4 1 1 2 1 1 7 1 1 8 1 2 3 1 2 6 1 2 5 1 3 4 1 3 12 1 3 11 1 4 9 1 4 10 1 M END > 12 1 -.270 2 -.270 3 -.270 4 -.270 5 .136 6 .134 7 .136 8 .134 9 .136 10 .134 11 .136 12 .134 $$$$ B3LYP 6-31G* charges https://cccbdb.nist.gov/mulliken3x.asp?id=287230&im=8&ib=1