%chk=000225074.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225074

0 1
O -0.415652 -0.911938 0.011064
O -5.693216 -2.266012 0.024216
O -6.728423 2.237583 -0.036609
N -2.714782 -1.418255 0.015765
N -4.489842 1.706308 -0.027496
N -6.214205 -0.021097 -0.006577
N -2.142805 0.830156 -0.013675
C 5.649319 0.438464 -0.001307
C 4.431504 -0.495283 0.009493
C 6.962691 -0.355357 0.009748
C 3.118915 0.299651 -0.001446
C 8.181292 0.577478 -0.001114
C 1.905381 -0.637304 0.009350
C 9.494551 -0.216127 0.009733
C 0.611240 0.164153 -0.001445
C 10.714673 0.715648 -0.001807
C -3.916730 -0.667213 0.004574
C -3.529234 0.701271 -0.013268
C -1.691654 -0.480076 0.004167
C -5.280908 -1.121664 0.009177
C 12.024656 -0.069015 0.009266
C -5.882055 1.363851 -0.024451
C -2.619476 -2.878075 0.035076
C -4.082755 3.132065 -0.045976
C -7.671156 -0.329877 -0.005273
H 5.613273 1.116624 0.873249
H 5.614664 1.094347 -0.892753
H 4.470195 -1.173416 -0.865223
H 4.468872 -1.151290 0.900977
H 6.999718 -1.011082 0.901102
H 7.001074 -1.033428 -0.864674
H 3.083698 0.977151 0.874643
H 3.085037 0.955017 -0.894269
H 8.145755 1.233337 -0.892366
H 8.144555 1.255449 0.873383
H 1.932983 -1.321313 -0.863786
H 1.931816 -1.299498 0.899169
H 9.533639 -0.894832 -0.863863
H 9.532862 -0.871963 0.900658
H 0.458815 0.785793 0.896705
H 0.460205 0.763594 -0.914804
H 10.679497 1.370933 -0.894111
H 10.678477 1.394151 0.872931
H 12.889377 0.603952 0.000206
H 12.109925 -0.700208 0.901109
H 12.110332 -0.724482 -0.864853
H -2.082594 -3.248099 -0.857539
H -2.083469 -3.224346 0.937692
H -3.639120 -3.326828 0.040431
H -3.476377 3.344242 -0.944415
H -3.477181 3.367668 0.847153
H -4.978339 3.783073 -0.054891
H -8.150750 0.073416 -0.913693
H -7.822737 -1.425748 0.023885
H -8.159633 0.122651 0.874863


%chk=000225074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225074

0 1
O -0.527446 -1.077441 0.011111
O -5.900467 -2.251067 0.030886
O -6.695656 2.402340 -0.042842
N -2.857642 -1.497121 0.018303
N -4.456917 1.694231 -0.030730
N -6.267359 0.097288 -0.005534
N -2.191974 0.704034 -0.015743
C 5.656939 0.406189 0.000050
C 4.442638 -0.548996 0.005898
C 7.013054 -0.334727 0.006058
C 3.085181 0.189654 -0.001500
C 8.230718 0.616623 0.001829
C 1.882682 -0.783475 0.007163
C 9.586378 -0.125204 0.007071
C 0.551928 -0.036181 -0.002279
C 10.804666 0.826247 0.003526
C -4.030736 -0.705697 0.006487
C -3.578917 0.623072 -0.014285
C -1.805183 -0.601781 0.004195
C -5.416477 -1.073599 0.012869
C 12.155018 0.077528 0.008725
C -5.855154 1.457010 -0.027154
C -2.768044 -2.965439 0.041411
C -3.952887 3.079761 -0.052473
C -7.731954 -0.121069 -0.002189
H 5.601988 1.076195 0.883644
H 5.603191 1.063947 -0.892773
H 4.499124 -1.219339 -0.876944
H 4.497012 -1.205550 0.899185
H 7.066590 -0.993634 0.898118
H 7.068613 -1.004243 -0.877934
H 3.029851 0.860571 0.880890
H 3.030630 0.844099 -0.896227
H 8.177948 1.276069 -0.889993
H 8.176419 1.285836 0.886253
H 1.931777 -1.449429 -0.875720
H 1.929667 -1.430607 0.904056
H 9.642816 -0.794038 -0.877523
H 9.640938 -0.784963 0.898579
H 0.418984 0.607044 0.887003
H 0.418897 0.584506 -0.907370
H 10.749278 1.485126 -0.887271
H 10.747414 1.494068 0.887520
H 13.008592 0.780423 0.005882
H 12.248660 -0.564628 0.905152
H 12.250366 -0.573922 -0.880790
H -2.228551 -3.328968 -0.849513
H -2.229474 -3.300800 0.943888
H -3.793036 -3.366281 0.047224
H -3.335813 3.245457 -0.951590
H -3.333935 3.272730 0.839872
H -4.825414 3.749070 -0.061801
H -8.183281 0.315608 -0.908296
H -7.900211 -1.207590 0.026839
H -8.185530 0.365263 0.876886


