%chk=000219113.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219113

1 1
O 0.263393 1.512906 -0.927117
O 0.135454 -0.639914 -0.312437
O -2.168007 -1.286643 0.879576
N 3.559545 0.017174 -0.345270
C 2.573820 1.186265 -0.280967
C 2.784085 -1.313597 -0.306465
C 4.487632 0.087150 0.882407
C 4.371165 0.109886 -1.618331
C 1.576192 1.254957 -1.450246
C 3.670999 -2.537664 -0.389099
C 5.347073 1.335212 0.934327
C -0.456099 0.415436 -0.397623
C -1.798221 0.827736 -0.039566
C -2.690584 -0.067770 0.609824
C -2.265169 2.131192 -0.346046
C -4.004836 0.332762 0.936744
C -3.552092 2.521656 -0.022386
C -4.422696 1.616621 0.619171
C -3.026232 -2.312808 1.508157
C -2.101393 -3.505765 1.596936
H 1.991134 1.120382 0.674171
H 3.145762 2.142320 -0.212926
H 2.155557 -1.332869 0.620444
H 2.029952 -1.319023 -1.139405
H 5.138069 -0.822924 0.880776
H 3.854061 0.014745 1.799510
H 4.798057 1.119463 -1.759967
H 5.215681 -0.605034 -1.612110
H 3.759637 -0.121555 -2.509595
H 1.554127 0.337051 -2.069289
H 1.743443 2.144470 -2.092296
H 4.421764 -2.599317 0.409957
H 4.188944 -2.642018 -1.351766
H 3.050743 -3.449413 -0.287608
H 4.770477 2.270776 0.925809
H 6.090535 1.389790 0.127159
H 5.929509 1.353517 1.874822
H -1.583945 2.826018 -0.849205
H -4.689653 -0.351859 1.431373
H -3.902615 3.525346 -0.263017
H -5.439596 1.935621 0.867449
H -3.345501 -1.933678 2.493638
H -3.892168 -2.485514 0.845825
H -2.638496 -4.398622 1.945497
H -1.659965 -3.742703 0.616895
H -1.265441 -3.325264 2.285770


%chk=000219113-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219113

1 1
O 0.254880 1.489701 -0.919630
O -0.002690 -0.751610 -0.338782
O -2.394735 -1.361101 0.855691
N 3.711858 0.025379 -0.280889
C 2.534405 1.016624 -0.135908
C 3.144348 -1.425780 -0.131660
C 4.712846 0.268078 0.885389
C 4.404474 0.215034 -1.622782
C 1.597018 1.098028 -1.368361
C 4.088689 -2.544517 -0.579710
C 5.549424 1.549383 0.794207
C -0.533150 0.385277 -0.411516
C -1.890818 0.819500 -0.055216
C -2.828165 -0.078079 0.569326
C -2.306755 2.153496 -0.345137
C -4.138062 0.383096 0.870870
C -3.602045 2.598687 -0.040490
C -4.516055 1.704435 0.568176
C -3.351241 -2.319990 1.476024
C -2.595710 -3.631951 1.652929
H 1.955397 0.675378 0.737025
H 2.966798 2.004598 0.086639
H 2.894656 -1.522406 0.939487
H 2.189508 -1.450350 -0.680927
H 5.370176 -0.616868 0.905045
H 4.098506 0.261541 1.802707
H 4.622634 1.282755 -1.769821
H 5.341976 -0.358743 -1.634464
H 3.747294 -0.144302 -2.427312
H 1.534728 0.132213 -1.901865
H 1.900764 1.893589 -2.065340
H 5.051131 -2.559587 -0.039080
H 4.287074 -2.533124 -1.664084
H 3.585498 -3.502648 -0.359444
H 4.942864 2.470392 0.767094
H 6.241327 1.549808 -0.063793
H 6.169963 1.605237 1.706019
H -1.591097 2.826462 -0.822695
H -4.863396 -0.284734 1.341283
H -3.903153 3.623398 -0.275478
H -5.531248 2.038449 0.808051
H -3.693164 -1.911781 2.447670
H -4.224090 -2.440596 0.804845
H -3.262111 -4.388318 2.104926
H -2.242955 -4.013344 0.680284
H -1.723493 -3.496213 2.314199


