SOPT HF 6-31G* Molecule003 0 1 1 0.939743050 0.000000000 0.935881857 6 -0.084827920 0.000000000 0.562682371 1 -0.587399594 -0.872869735 0.966536975 1 -0.587399594 0.872869735 0.966536975 7 -0.193220250 0.000000000 -0.884211586 1 0.256552153 0.805968745 -1.273713322 1 0.256552153 -0.805968745 -1.273713322 ENDCART ATOMLABELS "H0" "C1" "H2" "H4" "N1" "H5" "H6" ENDATOMLABELS HESSIAN 13 1 13 13 5 13 13 1 2 1 2 3 1 2 4 1 5 6 1 5 7 1 2 5 1 ENDHESS BEGINPROPIN ENDPROPIN