%chk=000220877.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220877

0 1
O 5.161567 -0.352582 0.029890
O -2.222527 0.832001 1.295108
O -1.415341 0.175442 -1.762551
O -3.718141 1.276235 -0.838668
O 0.290440 1.269219 1.158361
O -4.500566 -2.160380 0.195300
N 2.332860 -0.103511 -0.257444
C 0.933162 -0.625621 -0.244520
C -1.468448 -0.198937 0.643022
C -2.112987 -0.516258 -0.728276
C 2.963717 -0.188713 1.100752
C 3.147820 -0.871406 -1.258476
C 0.010342 0.260984 0.552385
C -3.613832 -0.145172 -0.825377
C 4.392346 0.371003 1.012561
C 4.567657 -0.281369 -1.281219
C -4.490629 -0.733476 0.294361
H 0.556780 -0.601540 -1.310517
H 0.841127 -1.679564 0.098928
H -1.544331 -1.082614 1.319934
H -1.948956 -1.590508 -0.982465
H 2.986116 -1.220367 1.509056
H 2.365092 0.443294 1.797188
H 2.678642 -0.753010 -2.259071
H 3.198166 -1.959082 -1.038074
H -4.004297 -0.437569 -1.832099
H 4.393555 1.444897 0.752225
H 4.965945 0.198255 1.939592
H 5.260262 -0.885763 -1.892368
H 4.567774 0.769509 -1.622400
H -5.552174 -0.451240 0.138892
H -4.170660 -0.403184 1.299046
H -1.605059 1.564674 1.611726
H -1.782304 1.099691 -1.861453
H -3.430621 1.647535 0.045948
H -3.745596 -2.543072 0.681504


%chk=000220877-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220877

0 1
O 5.183127 -0.612125 0.125076
O -2.200102 1.242676 1.146915
O -1.628464 0.580007 -1.867857
O -4.079910 1.179328 -0.788217
O 0.376840 1.564567 0.972134
O -4.003907 -2.441697 0.339437
N 2.344836 -0.158425 -0.233778
C 0.919862 -0.468401 -0.317911
C -1.489657 0.103564 0.560699
C -2.118867 -0.298093 -0.800426
C 2.923623 -0.338029 1.122507
C 3.142967 -0.873843 -1.262161
C 0.009063 0.485923 0.434579
C -3.671932 -0.239060 -0.791173
C 4.390046 0.122066 1.126054
C 4.603431 -0.396308 -1.210638
C -4.355197 -1.007960 0.359819
H 0.591854 -0.396015 -1.376033
H 0.664644 -1.514741 0.012835
H -1.554541 -0.756613 1.266084
H -1.788876 -1.319483 -1.060887
H 2.873623 -1.409540 1.445114
H 2.353422 0.276087 1.841273
H 2.720724 -0.656705 -2.261768
H 3.118500 -1.982368 -1.107000
H -4.026694 -0.636869 -1.757601
H 4.434492 1.211433 0.914645
H 4.869613 -0.089566 2.095659
H 5.234397 -0.974340 -1.905640
H 4.649675 0.682890 -1.470174
H -5.444361 -0.972777 0.202738
H -4.122214 -0.537990 1.336490
H -1.491197 1.900815 1.419099
H -2.294580 1.321806 -1.935676
H -3.666989 1.571056 0.040459
H -3.180351 -2.593469 0.866124


