%chk=000214258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214258

0 1
O 3.496637 -0.172610 -0.649541
O -2.401984 -1.164469 2.085679
O -4.551230 1.915846 -0.553275
N -3.610423 0.490232 1.011918
C -2.115288 -0.781362 -0.356244
C -2.887970 0.231018 -1.234618
C -0.626535 -0.578548 -0.404049
C -2.657307 -0.574533 1.070298
C -3.793473 1.014081 -0.303043
C 0.199797 -1.600640 -0.910598
C -0.050173 0.616486 0.047016
C 2.137239 -0.218672 -0.513409
C 1.575953 -1.431739 -0.972279
C 1.331568 0.809993 -0.003311
C 4.250705 0.969314 -0.097869
C 4.373640 0.784504 1.405711
C 5.573807 0.851240 -0.838789
H -2.372954 -1.826263 -0.664853
H -3.481807 -0.271206 -2.021810
H -2.206835 0.915730 -1.780651
H -4.115797 0.833397 1.825623
H -0.240630 -2.536796 -1.255876
H -0.682865 1.410133 0.447164
H 2.232298 -2.208598 -1.358927
H 1.761854 1.742567 0.348126
H 3.710310 1.903530 -0.363414
H 5.010284 1.552994 1.857597
H 3.397076 0.821246 1.905202
H 4.810993 -0.193316 1.652123
H 6.291199 1.607289 -0.502712
H 5.434555 0.965763 -1.921933
H 6.029456 -0.137513 -0.686153


%chk=000214258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214258

0 1
O 3.587808 -0.294059 -0.602409
O -2.398864 -1.343407 2.000153
O -4.861763 1.844795 -0.402761
N -3.769779 0.317293 1.032384
C -2.169132 -0.694363 -0.426604
C -2.967014 0.403530 -1.191619
C -0.650512 -0.552386 -0.458359
C -2.742171 -0.653083 1.016739
C -3.990088 0.969138 -0.200616
C 0.167542 -1.629342 -0.883491
C -0.016694 0.647117 -0.053112
C 2.190576 -0.304260 -0.508564
C 1.568925 -1.512695 -0.912256
C 1.387704 0.782637 -0.072385
C 4.350223 0.901516 -0.137616
C 4.432329 0.914187 1.399143
C 5.721686 0.777215 -0.808451
H -2.427396 -1.695105 -0.821202
H -3.497102 0.015207 -2.077535
H -2.316614 1.223321 -1.541963
H -4.321538 0.520648 1.869951
H -0.296855 -2.573752 -1.191813
H -0.619288 1.495769 0.296077
H 2.203294 -2.340263 -1.243569
H 1.836471 1.725663 0.252925
H 3.835281 1.811252 -0.510651
H 4.985708 1.806904 1.744269
H 3.432707 0.926295 1.866389
H 4.965989 0.015010 1.754102
H 6.362607 1.632786 -0.529207
H 5.618261 0.756099 -1.906546
H 6.219801 -0.154570 -0.488303


