BH3 MO calculation MO=2 MO coefficients +4 -7.197589 -7.197589 -7.197589 BOHR isosurface ID "isosurface1" select ({0:3}) sign [xff0000] [x0000ff] /*file*/"F:/CompLab/Mod2/BH3/km508_BH3_MO2.cub" isosurface ID "isosurface1" fill noMesh noDots notFrontOnly frontlit -}|R1 %o)m)l+k+k+l)n'}(b )l+j-h/g/g/g/g/g/g/h-j+l)o%}f! 'm+j-h/f1e1d3c3c3c3c3c3d1e1f/h-j+l)}'Z )k-h/f1d3c3b5a5a5a5a5a5a5a5a5b3c3d1f/h-k)}EW )k-g1d3c3b5`7_7_7_7_7^9]9^7_7_7_7`5a5b3d1f/h-k)}dT 'l-g1d3b5a5`7_7^9]9]9]9!;[;!9]9]9]9]9^7_7`5b3d1f/h-l'}vR -h/e3b5`7_7^9]9!;[;[;[;[;[;[;[;[;[;[;!9]9^7_7`5b3d1f/i+}/Q +i/f1c5`7_7^9!;[;[;Z=Y=Y=Y=Y=Y=Y=Y=Y=Y=Z;[;!9]9^7_7`5b3d1g-k)}CO -g1d3b5`7^9!;[;Z=Y=Y=X?W?W?W?W?W?W?W?X=Y=Y=Z;[;!9]9^7`5b3d1f/i+}XM )j/e3b5`7^9!;[;Z=Y=X?W?W?W?VAUAUAUAUAV?W?W?W?X=Y=Z;[;!9^7_7`5b3e/i+}aL +h1d3a7^9]9!;Z=Y=X?W?W?VAUAUAUAUAUAUAUAUAUAV?W?W?X=Y=Z;!9]9^7`5b3e/h-l'}*J %m-g1c5`7^9!;Z=Y=X?W?VAUAUAUATCSCSCSCSCSCTAUAUAUAV?W?X=Y=Z;[;!9^7`5b3d1g-l'}2I )j/e3b5_9!;[;Z=X?W?VAUAUATCSCSCSCSCSCSCSCSCSCSCTAUAUAV?W?X=Z;[;!9^7`5b3d1g-m%}~;0 H +h1d3a7^9!;Z=Y=X?VAUAUATCSCSCSCREQEQEQEQERCSCSCSCTAUAUAV?W?X=Z;[;!9^7`5b3e/i+}9H +h1c5`7^9!;Z=X?W?VAUATCSCSCREQEQEQEQEQEQEQEQERCSCSCSCTAUAV?W?X=Z;[;!9^7`5c1f/i+}BG -g1c5`7];Z=Y=X?VAUATCSCSCREQEQEQEQEQEQEQEQEQEQEQERCSCSCTAUAV?X=Y=Z;!9^7`5b3d1g-l'}NF -f3b5_9!;Z=X?W?VAUATCSCREQEQEQEPGOGOGOGOGPEQEQEQEQERCSCTAUAV?W?X=Y=Z;!9^7`5b3e/i+}ZE %l/e3a7^9!;Z=X?VAUATCSCREQEQEQEPGOGOGOGOGOGOGOGPEQEQEQERCSCTAUAV?W?X=Z;!9]9^7a3d1g-m%}fD 'k/e3a7^9!;Z=X?VAUATCSCREQEQEPGOGOGOGOGOGOGOGOGOGPEQEQERCSCSCTAUAV?X=Y=Z;!9^7`5b3e/j)}dD 'k/e3a7^9!;Z=X?VAUATCSCREQEQEPGOGOGOGO4%4O4%4OGOGOGOGPEQEQEQERCSCTAUAV?X=Y=Z;!9^7`5b3e/i+}bD )j/e3a7^9!;Z=X?VAUATCREQEQEPGOGOGOGO3$%$3OGOGO3$%$3OGOGOGOGPEQEQERCSCTAUAV?W?X=Z;!9^7`5b3d1h+}bD )j/e3a7^9!;Z=X?VATCSCREQEQEPGOGOGO4%4OGO2$'$2O2$'$2OGO4%4OGOGOGPEQEQERCSCTAUAV?W?X=Z;!9]9_5b3d1g-}aD )j/e3a7^9!;Z=X?VATCSCREQEQEPGOGOGO4%4OGO2$'$2O2$'$2OGO4%4OGOGOGPEQEQERCSCTAUAV?W?X=Z;!9]9_5b3d1g-}aD )j/e3a7^9!;Z=X?VAUATCREQEQEPGOGOGOGO3$%$3OGOGO3$%$3OGOGOGOGPEQEQERCSCTAUAV?W?X=Z;!9^7`5b3d1h+}cD 'k/e3a7^9!;Z=X?VAUATCSCREQEQEPGOGOGOGO4%4O4%4OGOGOGOGPEQEQEQERCSCTAUAV?X=Y=Z;!9^7`5b3e/i+}cD 'k/e3a7^9!;Z=X?VAUATCSCREQEQEPGOGOGOGOGOGOGOGOGOGPEQEQERCSCSCTAUAV?X=Y=Z;!9^7`5b3e/j)}eD %l/e3a7^9!;Z=X?VAUATCSCREQEQEQEPGOGOGOGOGOGOGOGPEQEQEQERCSCTAUAV?W?X=Z;!9]9^7a3d1g-m%}YE -f3b5_9!;Z=X?W?VAUATCSCREQEQEQEPGOGOGOGOGPEQEQEQEQERCSCTAUAV?W?X=Y=Z;!9^7`5b3e/i+}LF -g1c5`7];Z=Y=X?VAUATCSCSCREQEQEQEQEQEQEQEQEQEQEQERCSCSCTAUAV?X=Y=Z;!9^7`5b3d1g-l'}OF +h1c5`7^9!;Z=X?W?VAUATCSCSCREQEQEQEQEQEQEQEQERCSCSCSCTAUAV?W?X=Z;[;!9^7`5c1f/i+}CG +h1d3a7^9!;Z=Y=X?VAUAUATCSCSCSCREQEQEQEQERCSCSCSCTAUAUAV?W?X=Z;[;!9^7`5b3e/i+}:H )j/e3b5_9!;[;Z=X?W?VAUAUATCSCSCSCSCSCSCSCSCSCSCTAUAUAV?W?X=Z;[;!9^7`5b3d1g-m%}?H %m-g1c5`7^9!;Z=Y=X?W?VAUAUAUATCSCSCSCSCSCTAUAUAUAV?W?X=Y=Z;[;!9^7`5b3d1g-l'}'J +h1d3a7^9]9!;Z=Y=X?W?W?VAUAUAUAUAUAUAUAUAUAV?W?W?X=Y=Z;!9]9^7`5b3e/h-l'}xJ )j/e3b5`7^9!;[;Z=Y=X?W?W?W?VAUAUAUAUAV?W?W?W?X=Y=Z;[;!9^7_7`5b3e/i+}VM -g1d3b5`7^9!;[;Z=Y=Y=X?W?W?W?W?W?W?W?X=Y=Y=Z;[;!9]9^7`5b3d1f/i+}MN +i/f1c5`7_7^9!;[;[;Z=Y=Y=Y=Y=Y=Y=Y=Y=Y=Z;[;!9]9^7_7`5b3d1g-k)}9P -h/e3b5`7_7^9]9!;[;[;[;[;[;[;[;[;[;[;!9]9^7_7`5b3d1f/i+}'R 'l-g1d3b5a5`7_7^9]9]9]9!;[;!9]9]9]9]9^7_7`5b3d1f/h-l'}nS )k-g1d3c3b5`7_7_7_7_7^9]9^7_7_7_7`5a5b3d1f/h-k)}OV )k-h/f1d3c3b5a5a5a5a5a5a5a5a5b3c3d1f/h-k)}2Y 'm+j-h/f1e1d3c3c3c3c3c3d1e1f/h-j+l)}c! )l+j-h/g/g/g/g/g/g/h-j+l)o%}?` %o)m)l+k+k+l)n'}q[1 -}`r %(+'%%%'+(%}Z~%0 +(%%%*'*%%%(+}O~%0 %%%)'7')%%%}S~%0 +(%%%*'*%%%(+}V~%0 %(+'%%%'+(%