%chk=000289229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289229

0 1
O 2.073383 -1.080347 1.385221
O -2.566585 0.891498 0.891159
O -2.882252 -1.241886 -0.197712
N 1.259521 0.855209 0.162003
C 2.386800 0.805323 -0.826616
C 3.069120 -0.593663 -0.835238
C 3.343575 -1.092421 0.592113
C 1.166378 -0.021838 1.106110
C 3.391170 1.929402 -0.460193
C 1.769398 1.101442 -2.213322
C -0.009472 -0.074384 2.056365
C 3.877582 -2.522072 0.667379
C -1.174229 -0.947661 1.510910
C -1.908873 -0.281500 0.344739
C -3.137081 1.798434 -0.119927
C -2.899570 -1.343857 -1.669510
C -3.544953 3.085657 0.596201
C -3.965377 -2.376347 -2.036094
H 2.403267 -1.321334 -1.340662
H 4.019193 -0.559107 -1.401251
H 4.037279 -0.399687 1.110653
H 3.889263 1.734273 0.506434
H 4.166223 2.029712 -1.242975
H 2.854951 2.890042 -0.370478
H 1.266188 2.083799 -2.197373
H 2.548808 1.111466 -2.997788
H 1.016310 0.335952 -2.475792
H -0.382749 0.950177 2.216686
H 0.337483 -0.487264 3.019364
H 3.988613 -2.838420 1.718727
H 4.864826 -2.588599 0.174833
H 3.185716 -3.221782 0.166237
H -0.799924 -1.933130 1.182071
H -1.912882 -1.120692 2.314507
H -1.208487 0.032200 -0.463960
H -4.015458 1.315441 -0.595526
H -2.373670 2.001146 -0.904313
H -1.900171 -1.663944 -2.037902
H -3.132946 -0.358407 -2.126679
H -4.008163 3.794246 -0.114965
H -4.273721 2.864403 1.395157
H -2.665105 3.569401 1.054267
H -4.021163 -2.504887 -3.132864
H -3.728374 -3.352450 -1.578700
H -4.954945 -2.056141 -1.666997


%chk=000289229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289229

0 1
O 2.188982 -0.701789 1.609781
O -2.537203 0.758182 1.275910
O -3.218268 -0.379664 -0.685984
N 1.020632 -0.552198 -0.519881
C 2.280815 -0.299180 -1.291342
C 3.538610 -0.713139 -0.471695
C 3.455289 -0.208239 0.979058
C 1.048235 -0.745877 0.765027
C 2.316344 1.205991 -1.665680
C 2.185353 -1.146956 -2.581119
C -0.178889 -1.072600 1.593620
C 4.590982 -0.688531 1.880716
C -1.458415 -1.322399 0.771735
C -2.063922 -0.046911 0.176073
C -3.042113 2.083244 0.863275
C -2.861574 -0.505925 -2.109266
C -3.435253 2.836428 2.133260
C -4.144498 -0.836298 -2.872334
H 3.616038 -1.818186 -0.453910
H 4.456393 -0.319174 -0.947520
H 3.397587 0.899460 0.995434
H 2.443430 1.847471 -0.774949
H 3.145608 1.410957 -2.368028
H 1.366974 1.491192 -2.151903
H 1.286891 -0.859660 -3.155133
H 3.077925 -0.996967 -3.216540
H 2.102387 -2.220777 -2.335597
H -0.352646 -0.249194 2.312522
H 0.067005 -1.961661 2.205726
H 4.428616 -0.351597 2.918903
H 5.557455 -0.284483 1.528015
H 4.648133 -1.791199 1.879287
H -1.243233 -2.021391 -0.055914
H -2.231516 -1.778486 1.416489
H -1.317015 0.513427 -0.432170
H -3.907419 1.944372 0.187045
H -2.242309 2.621808 0.306395
H -2.102828 -1.306060 -2.246631
H -2.414840 0.447060 -2.471615
H -3.825784 3.839723 1.881676
H -4.218382 2.282632 2.679275
H -2.565722 2.954938 2.803108
H -3.936987 -0.938498 -3.953580
H -4.576731 -1.783283 -2.505669
H -4.895239 -0.039158 -2.731568


