%chk=000257271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257271

0 1
O -4.464573 -0.640216 -0.490917
O -0.706545 2.010573 -1.224790
O 3.501985 2.042639 -2.745577
O 5.536177 1.511518 1.546279
O -4.654089 1.609845 -0.471159
O -1.660278 1.706402 0.806540
N 3.496866 -0.424471 0.033873
N -1.373207 -2.551064 1.841281
C -0.085561 -1.372076 0.346848
C -1.449562 -1.396197 -0.127172
C -1.948142 -0.800013 -1.390402
C -0.060305 -2.106638 1.580853
C 2.279599 -0.953683 0.586248
C -2.562083 0.607046 -1.221989
C 1.095660 -0.795314 -0.141868
C -2.203473 -2.101657 0.804024
C 1.132187 -2.287595 2.300874
C 2.285957 -1.713423 1.799149
C 3.390586 0.925529 -0.594850
C 4.748983 -0.587891 0.814531
C -3.975534 0.631457 -0.672752
C -1.642066 1.474508 -0.374736
C 3.483839 0.749629 -2.120463
C 4.882507 0.323564 2.046339
C -5.855066 -0.767168 -0.043103
C 0.325313 2.877552 -0.632879
C -6.793519 -0.543885 -1.209776
C 0.886394 3.644432 -1.808222
H -1.115726 -0.731092 -2.126357
H -2.712726 -1.467219 -1.849293
H -2.626321 1.074964 -2.250239
H 1.065508 -0.243976 -1.079658
H -3.264151 -2.297480 0.788799
H -1.666408 -3.048932 2.656559
H 1.143882 -2.858333 3.224982
H 3.215861 -1.855285 2.343625
H 2.435534 1.446613 -0.327704
H 4.201795 1.604141 -0.236324
H 4.852484 -1.655859 1.108836
H 5.602095 -0.372618 0.122650
H 4.376020 0.175514 -2.422119
H 2.579866 0.276420 -2.547786
H 3.906025 0.606320 2.477999
H 5.520750 -0.128503 2.824798
H -5.857671 -1.807914 0.326867
H -6.024394 -0.052556 0.782946
H -0.151480 3.515335 0.131546
H 1.066878 2.197529 -0.159576
H 4.332499 2.513435 -2.537633
H 5.658277 2.158055 2.267096
H -6.775585 0.507223 -1.537521
H -6.518453 -1.159011 -2.075716
H -7.829528 -0.784581 -0.943157
H 1.615742 3.042930 -2.382681
H 0.092408 3.930087 -2.512550
H 1.394166 4.560090 -1.487172


%chk=000257271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257271

0 1
O -4.593094 -0.694823 -0.607601
O -0.925390 2.307806 -1.275695
O 3.481257 1.529250 -3.114955
O 5.388554 1.678674 1.759605
O -4.645288 1.549106 0.010642
O -1.708807 1.820895 0.869341
N 3.556912 -0.243400 0.258289
N -1.270593 -2.777530 1.692626
C -0.030305 -1.378891 0.373331
C -1.391188 -1.417386 -0.143897
C -1.909622 -0.704231 -1.368413
C 0.015730 -2.244884 1.518464
C 2.365729 -0.900105 0.659806
C -2.645149 0.663094 -1.130087
C 1.147160 -0.711844 -0.051072
C -2.109022 -2.279433 0.689505
C 1.211022 -2.449148 2.233624
C 2.369536 -1.776364 1.804731
C 3.517518 0.860490 -0.711889
C 4.839932 -0.517089 0.914009
C -4.032283 0.581292 -0.488460
C -1.755566 1.644369 -0.363367
C 3.646002 0.396971 -2.184353
C 5.102224 0.297459 2.195298
C -6.002445 -0.836211 -0.120505
C 0.056407 3.270566 -0.686156
C -6.997262 -0.432173 -1.211833
C 0.863170 3.846880 -1.845634
H -1.068127 -0.490362 -2.053479
H -2.616832 -1.349989 -1.916927
H -2.812225 1.107430 -2.132486
H 1.106379 -0.071432 -0.937357
H -3.157602 -2.562130 0.631871
H -1.550709 -3.415493 2.433074
H 1.253953 -3.106293 3.109761
H 3.288282 -1.928045 2.377771
H 2.574872 1.429248 -0.603815
H 4.336500 1.561873 -0.466457
H 4.925901 -1.595321 1.144388
H 5.659318 -0.282052 0.208521
H 4.619449 -0.113360 -2.344283
H 2.839951 -0.304070 -2.451164
H 4.215274 0.263940 2.859251
H 5.978593 -0.126288 2.733087
H -6.081590 -1.905314 0.135784
H -6.121732 -0.214911 0.784087
H -0.512293 4.042054 -0.135707
H 0.681405 2.722321 0.043292
H 4.217958 2.175442 -2.968282
H 5.361581 2.288565 2.537669
H -6.907580 0.642237 -1.443132
H -6.829665 -1.014450 -2.134446
H -8.029675 -0.623911 -0.864887
H 1.428348 3.060763 -2.376668
H 0.200072 4.353473 -2.568097
H 1.584453 4.591431 -1.459321


