%chk=000202291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202291

0 1
O 0.041997 1.954007 -0.544806
O -4.590104 0.938315 -0.512806
O -3.804838 -0.783970 0.778812
N 0.609059 -1.419136 0.256189
N 1.021824 -0.038899 0.237805
N -2.474934 0.260016 -0.874607
C -0.812122 -1.413299 0.001864
C -1.211492 -0.151424 -0.381197
C -0.061627 0.778826 -0.295184
C 2.412662 0.247360 -0.027827
C 1.064095 -2.132510 1.484543
C -1.613000 -2.643422 0.083688
C 2.850433 1.561990 0.225588
C 3.309382 -0.732516 -0.485160
C 4.195582 1.877592 0.036204
C 4.653867 -0.395057 -0.660187
C 5.101423 0.902712 -0.397925
C -3.614183 0.056207 -0.076028
C -5.920002 0.721113 0.033106
H 2.152249 -1.991261 1.619859
H 0.877122 -3.211004 1.348660
H 0.565795 -1.791058 2.407273
H -1.069402 -3.520652 0.453088
H -2.032028 -2.903328 -0.905581
H -2.498555 -2.482995 0.743213
H -2.451288 1.113947 -1.450616
H 2.138971 2.326782 0.547003
H 2.964643 -1.737974 -0.721075
H 4.540431 2.893843 0.227856
H 5.355048 -1.151292 -1.011854
H 6.149608 1.157567 -0.537707
H -6.443707 1.637637 -0.261180
H -5.870102 0.608630 1.121897
H -6.353609 -0.167845 -0.434207


%chk=000202291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202291

0 1
O -0.057828 2.035725 -0.177379
O -4.618009 1.128343 -0.470740
O -4.124204 -1.142605 -0.101046
N 0.596560 -1.418712 0.406526
N 1.042503 -0.061990 0.274894
N -2.466816 0.554919 -0.127478
C -0.831062 -1.400843 0.358901
C -1.246734 -0.098604 0.117707
C -0.074453 0.786365 0.063328
C 2.403444 0.238776 -0.037520
C 1.273431 -2.199653 1.474447
C -1.572196 -2.687210 0.583326
C 2.912770 1.522515 0.284710
C 3.228906 -0.720054 -0.679692
C 4.251401 1.833929 -0.032606
C 4.571128 -0.398179 -0.973268
C 5.090120 0.877089 -0.651025
C -3.745503 0.053013 -0.216222
C -6.038623 0.753129 -0.610296
H 2.361947 -2.174489 1.315997
H 0.933617 -3.243933 1.405446
H 1.044384 -1.801375 2.483037
H -1.154674 -3.496469 -0.043733
H -2.633632 -2.545610 0.332170
H -1.514251 -3.013506 1.640282
H -2.352525 1.566355 -0.284620
H 2.257215 2.260805 0.752191
H 2.808204 -1.686922 -0.974589
H 4.640626 2.828643 0.210264
H 5.205635 -1.140376 -1.470256
H 6.130603 1.124830 -0.886540
H -6.560284 1.703347 -0.792270
H -6.404318 0.271788 0.312588
H -6.174184 0.059862 -1.457832


