%chk=000217129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217129

0 1
O -2.610481 -1.782935 0.889290
O 0.440376 2.650562 1.142498
O 6.008233 -0.278434 -0.144442
N -4.235245 -0.232531 0.535294
N 0.489122 0.542220 0.150321
N -6.673385 -0.683940 -0.951886
C -1.880635 0.225996 -0.225668
C -0.499044 -0.477531 -0.310173
C -1.642602 1.497742 0.604865
C -2.917811 -0.698760 0.414481
C -0.132902 1.680594 0.695528
C -5.271043 -1.182011 1.038833
C -4.819552 0.832625 -0.319042
C -6.085430 -1.782984 -0.124680
C -5.613993 0.220676 -1.494615
C 1.897447 0.284369 0.085369
C 2.814267 1.353140 0.243894
C 2.370536 -1.016866 -0.142417
C 4.175859 1.116310 0.163004
C 3.745936 -1.263819 -0.231210
C 4.636449 -0.197989 -0.079294
C 6.610827 -1.596020 -0.349832
C 8.097560 -1.298459 -0.339537
H -2.216272 0.495225 -1.255256
H -0.469310 -1.379368 0.351032
H -0.269169 -0.800675 -1.344933
H -2.061313 1.419820 1.630380
H -2.106917 2.395215 0.158206
H -5.939267 -0.618436 1.728583
H -4.780359 -1.992365 1.627605
H -4.041808 1.525708 -0.694337
H -5.509054 1.435637 0.321582
H -5.447245 -2.480907 -0.708806
H -6.929593 -2.379848 0.286895
H -6.123388 1.032874 -2.059338
H -4.921415 -0.284889 -2.200553
H -7.203636 -1.091339 -1.730786
H 2.446801 2.367079 0.443553
H 1.685965 -1.856621 -0.244908
H 4.900375 1.920315 0.284528
H 4.092264 -2.276000 -0.410593
H 6.300863 -2.255701 0.478564
H 6.260347 -1.992310 -1.317957
H 8.689599 -2.207929 -0.488001
H 8.365148 -0.581822 -1.128907
H 8.404496 -0.841014 0.611870


%chk=000217129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217129

0 1
O -2.658792 -1.739640 1.334448
O 0.404934 2.866858 1.002164
O 6.102144 -0.198231 -0.227501
N -4.267859 -0.434603 0.281411
N 0.501576 0.588417 0.294912
N -6.782372 -0.583763 -1.041807
C -1.843422 0.156240 0.015381
C -0.454158 -0.529166 0.079417
C -1.640255 1.464018 0.829624
C -2.949545 -0.750180 0.584371
C -0.138106 1.761026 0.720959
C -5.363014 -1.257016 0.853137
C -4.744778 0.698731 -0.541996
C -6.295152 -1.750182 -0.271847
C -5.682656 0.183992 -1.658670
C 1.910341 0.379964 0.170249
C 2.835599 1.463677 0.235698
C 2.413399 -0.931655 -0.028098
C 4.211991 1.225983 0.100070
C 3.798605 -1.169292 -0.166148
C 4.707179 -0.086152 -0.104119
C 6.665355 -1.546616 -0.426726
C 8.180196 -1.383730 -0.520584
H -2.055555 0.418911 -1.036640
H -0.429365 -1.254705 0.913579
H -0.216771 -1.060326 -0.859068
H -1.886100 1.317504 1.898984
H -2.225157 2.324667 0.467158
H -5.945995 -0.636755 1.562146
H -4.901752 -2.096555 1.396593
H -3.897822 1.247024 -0.980171
H -5.316171 1.396687 0.102362
H -5.731908 -2.481737 -0.901851
H -7.158541 -2.274271 0.175772
H -6.102738 1.047086 -2.206476
H -5.073453 -0.422241 -2.375771
H -7.532490 -0.817210 -1.702663
H 2.463514 2.475326 0.405885
H 1.734915 -1.788966 -0.061160
H 4.926566 2.053222 0.151296
H 4.146492 -2.195740 -0.313706
H 6.382960 -2.195673 0.428343
H 6.249697 -1.987811 -1.356791
H 8.660440 -2.367761 -0.671330
H 8.449037 -0.728690 -1.366701
H 8.580591 -0.936063 0.404870


