%chk=000207994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207994

0 1
O -3.176528 -1.233069 0.218834
O 2.426458 0.592857 -2.123903
N -6.729538 -1.188084 -0.609757
C -7.301427 0.067038 -0.014906
C -7.825256 -2.208242 -0.497152
C -8.407555 -0.333743 0.986415
C -8.740377 -1.805542 0.680181
C -5.475454 -1.623093 0.079216
C -4.311257 -0.956299 -0.667145
C 3.069137 0.562562 0.189165
C 4.137973 1.618900 -0.166288
C 3.735742 -0.754079 0.515183
C 2.085458 0.377061 -0.977392
C -1.934162 -0.807703 -0.158850
C 0.701244 -0.048646 -0.651959
C 3.586484 3.015273 -0.069004
C -1.638517 -0.105508 -1.337178
C -0.928455 -1.147416 0.775146
C -0.313799 0.259782 -1.574232
C 0.379286 -0.763556 0.518054
C 3.833108 -1.174097 1.850225
C 4.277235 -1.551128 -0.505186
C 2.930057 3.588910 -1.169306
C 3.723570 3.751374 1.117188
C 4.460846 -2.384520 2.158149
C 4.901858 -2.760186 -0.191419
C 4.994217 -3.180270 1.139775
C 2.420975 4.886189 -1.082926
C 3.211992 5.049834 1.198355
C 2.560977 5.619900 0.100274
H -6.525408 0.698981 0.452198
H -7.728473 0.648495 -0.860283
H -8.382660 -2.173850 -1.458590
H -7.432356 -3.234857 -0.391149
H -9.293894 0.311637 0.876493
H -8.063628 -0.214668 2.027049
H -8.558397 -2.443123 1.560962
H -9.803011 -1.933183 0.418215
H -5.432438 -1.363829 1.159627
H -5.362687 -2.727809 0.028873
H -4.121366 -1.413979 -1.651446
H -4.426178 0.135674 -0.761828
H 2.496939 0.936027 1.077749
H 5.015742 1.496837 0.500313
H 4.518903 1.424132 -1.194680
H -2.407903 0.148663 -2.058365
H -1.197900 -1.703770 1.669652
H -0.051387 0.795606 -2.492859
H 1.164656 -1.034691 1.227931
H 3.429002 -0.557639 2.650716
H 4.208597 -1.223570 -1.544867
H 2.817107 3.012332 -2.090432
H 4.230116 3.314937 1.974944
H 4.534975 -2.707052 3.195497
H 5.318069 -3.376710 -0.987164
H 5.480724 -4.122901 1.381634
H 1.914414 5.327417 -1.939614
H 3.322464 5.618358 2.119861
H 2.165186 6.630639 0.164905


%chk=000207994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207994

0 1
O -3.272401 -1.114124 0.587963
O 2.296694 0.765643 -2.076904
N -6.783333 -1.512832 -0.607867
C -7.465155 -0.181076 -0.624633
C -7.889372 -2.464777 -0.300824
C -8.626983 -0.242656 0.438255
C -8.772158 -1.761396 0.777849
C -5.630666 -1.579755 0.328718
C -4.367542 -1.113563 -0.405765
C 3.145003 0.582437 0.204207
C 4.219728 1.650901 -0.188095
C 3.788859 -0.800675 0.383233
C 2.027132 0.500945 -0.862939
C -2.002784 -0.716988 0.170819
C 0.654314 0.073680 -0.464359
C 3.722091 3.082030 -0.037212
C -1.683167 -0.310925 -1.153687
C -0.995843 -0.735394 1.171495
C -0.366018 0.074389 -1.454262
C 0.312895 -0.342684 0.855532
C 3.976663 -1.341973 1.680162
C 4.251623 -1.537362 -0.738302
C 3.129164 3.773837 -1.125794
C 3.828267 3.749602 1.211521
C 4.614518 -2.590447 1.857561
C 4.887960 -2.785672 -0.562723
C 5.072331 -3.317808 0.734960
C 2.653098 5.095142 -0.968079
C 3.352158 5.070198 1.373269
C 2.761059 5.748280 0.281775
H -6.741468 0.626551 -0.417663
H -7.883387 -0.007481 -1.633484
H -8.479470 -2.621871 -1.224721
H -7.489250 -3.442383 0.016093
H -9.560531 0.168267 0.015026
H -8.386511 0.348163 1.339101
H -8.377433 -1.974081 1.788139
H -9.821240 -2.103940 0.748653
H -5.763285 -0.965484 1.248960
H -5.487018 -2.626420 0.651000
H -4.133007 -1.804369 -1.237618
H -4.501167 -0.091286 -0.813105
H 2.704071 0.890381 1.170361
H 5.099646 1.486711 0.461533
H 4.525489 1.454760 -1.230918
H -2.445171 -0.296201 -1.938065
H -1.267565 -1.060449 2.180123
H -0.093958 0.388949 -2.467278
H 1.073921 -0.376081 1.640644
H 3.630496 -0.779125 2.556935
H 4.104465 -1.132947 -1.746629
H 3.038828 3.264513 -2.091878
H 4.299183 3.233986 2.058917
H 4.753744 -2.994054 2.867040
H 5.238139 -3.344785 -1.437898
H 5.565292 -4.287142 0.869549
H 2.200621 5.615567 -1.820176
H 3.447552 5.571827 2.343410
H 2.394381 6.774049 0.402972


