%chk=000201957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201957

0 1
O 3.342148 -4.478622 1.537180
N -0.314803 2.222612 0.293487
N -2.949978 1.084188 -0.169443
N 1.931948 -2.413914 0.142046
N 2.026435 -0.126617 0.850122
N 3.016245 1.537087 -0.602630
N 3.100153 -0.839452 -1.226231
N 4.161297 0.810020 -2.546949
C 0.713650 3.116527 0.940632
C -0.974403 1.331598 1.307050
C -1.380070 2.990431 -0.430872
C -1.898732 0.332363 0.584426
C -2.314887 2.004598 -1.162478
C 1.880418 2.239588 1.478919
C 1.258798 4.149372 -0.050849
C -4.111305 0.372152 -0.576640
C 2.315165 1.171985 0.513825
C -4.528633 -0.784549 0.125151
C -4.940432 0.875720 -1.607849
C 2.594392 -3.529885 -0.593728
C 1.539737 -2.819609 1.522951
C 2.394043 -1.107495 -0.063789
C 3.773974 -4.090587 0.215714
C 2.744449 -3.397411 2.282618
C -5.736196 -1.400773 -0.194421
C -6.144207 0.243689 -1.911022
C 3.392013 0.495647 -1.443993
C -6.551572 -0.897355 -1.212938
H 0.280101 3.663312 1.821902
H -1.552352 1.899928 2.067381
H -0.188349 0.751842 1.842422
H -0.901002 3.643693 -1.191870
H -1.974870 3.642923 0.244876
H -1.295253 -0.315314 -0.092337
H -2.381834 -0.329021 1.338008
H -3.105420 2.580601 -1.694379
H -1.738913 1.437980 -1.928903
H 1.583349 1.770699 2.442658
H 2.748466 2.894731 1.711860
H 0.506904 4.886556 -0.345324
H 1.631749 3.656563 -0.963843
H 2.108300 4.695800 0.373659
H -3.915209 -1.189958 0.926770
H -4.649449 1.767005 -2.159191
H 2.927872 -3.192507 -1.602531
H 1.821297 -4.315919 -0.753850
H 0.739226 -3.587477 1.419650
H 1.097080 -1.958480 2.074752
H 4.151064 -5.043704 -0.195840
H 4.599603 -3.362642 0.302968
H 3.511642 -2.630133 2.487031
H 2.448495 -3.897038 3.222205
H -6.046705 -2.288066 0.356907
H -6.774287 0.644928 -2.704544
H -7.489174 -1.385392 -1.457564
H 4.268283 1.777720 -2.811067
H 4.323137 0.108358 -3.252696


%chk=000201957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201957

0 1
O 2.544124 -4.888779 1.235420
N -0.318409 2.283301 0.260720
N -2.917858 0.997812 -0.124810
N 2.325230 -2.243240 0.151924
N 2.139923 0.023632 0.784203
N 3.262357 1.715382 -0.540448
N 3.453686 -0.643946 -1.161446
N 4.527748 1.036095 -2.389133
C 0.723596 3.202457 0.817572
C -0.892245 1.376038 1.289338
C -1.436798 2.985749 -0.415712
C -1.834972 0.347969 0.648011
C -2.406186 1.993638 -1.083792
C 1.919410 2.387180 1.417824
C 1.223006 4.214175 -0.237493
C -4.099292 0.279011 -0.431434
C 2.466989 1.318420 0.498515
C -4.641978 -0.675972 0.485359
C -4.820944 0.503529 -1.645692
C 2.808669 -3.346353 -0.701313
C 1.441082 -2.657762 1.258645
C 2.648341 -0.926162 -0.083507
C 3.465917 -4.426276 0.181846
C 2.136755 -3.755902 2.086610
C -5.843005 -1.355057 0.203653
C -6.027921 -0.177380 -1.911545
C 3.722931 0.684688 -1.335465
C -6.555117 -1.113995 -0.995335
H 0.296292 3.788900 1.676171
H -1.450557 1.955447 2.069686
H -0.077083 0.815395 1.773603
H -1.040380 3.641440 -1.207986
H -2.012319 3.621758 0.306709
H -1.231847 -0.313028 -0.016337
H -2.263658 -0.276111 1.447531
H -3.252177 2.577474 -1.486509
H -1.887257 1.499063 -1.938132
H 1.621026 1.902764 2.361951
H 2.724729 3.107953 1.645235
H 0.447736 4.954066 -0.502296
H 1.560800 3.691422 -1.147714
H 2.085838 4.771013 0.167641
H -4.141448 -0.874740 1.437860
H -4.436492 1.194135 -2.401371
H 3.519738 -2.932612 -1.433567
H 1.948935 -3.789344 -1.244201
H 0.495931 -3.058037 0.837591
H 1.216400 -1.770990 1.871729
H 3.709900 -5.324410 -0.408916
H 4.392161 -4.021428 0.644512
H 3.027332 -3.332460 2.599732
H 1.448254 -4.183962 2.833551
H -6.230468 -2.074235 0.935234
H -6.551889 0.020562 -2.854386
H -7.489450 -1.643472 -1.208526
H 4.739048 2.019661 -2.535714
H 4.889265 0.313821 -3.006194


