%chk=000289258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289258

0 1
O -4.544115 0.885112 -0.946306
O -2.748252 2.289757 1.321557
N -0.543003 -1.066225 0.634448
N 2.197887 1.334297 -0.462997
C -2.025230 -1.233802 0.509790
C -2.701891 -0.111110 1.337279
C -0.085528 0.210442 -0.023331
C -2.541517 -1.279037 -0.943784
C -4.230076 -0.097268 1.173927
C -0.629522 1.376091 0.816915
C -4.768871 -0.360393 -0.240209
C -4.051380 -1.511948 -0.959524
C -2.110212 1.279822 1.122828
C 0.212389 -2.278321 0.174991
C 1.413638 0.224613 -0.080498
C 1.690846 -2.170805 0.608482
C 2.239544 -0.860428 0.183924
C 3.599883 -0.439597 -0.021709
C 3.547701 0.942100 -0.422427
C 4.851492 -1.072217 0.087042
C 4.714710 1.679023 -0.708568
C -5.357142 1.070365 -2.116350
C 5.994508 -0.343643 -0.195553
C 5.924719 1.018572 -0.589133
H -2.282788 -2.209128 1.005687
H -2.476657 -0.333657 2.420280
H -0.480960 0.302538 -1.075216
H -2.022257 -2.068078 -1.515053
H -2.323199 -0.317768 -1.457354
H -4.677164 -0.837375 1.863753
H -4.605443 0.906051 1.497229
H -0.419039 2.346157 0.326680
H -0.091530 1.411487 1.793223
H -5.865298 -0.551711 -0.197450
H -4.410083 -1.587335 -2.003374
H -4.306721 -2.473903 -0.477492
H 0.158029 -2.425253 -0.925390
H -0.247605 -3.170313 0.651407
H 2.272247 -3.010336 0.181552
H 1.768608 -2.261484 1.714370
H 1.855410 2.246928 -0.684555
H 4.904792 -2.114998 0.390124
H 4.658682 2.719525 -1.008171
H -6.419806 1.048302 -1.858287
H -5.117106 0.324688 -2.878850
H -5.064246 2.074425 -2.450101
H 6.973110 -0.812080 -0.117459
H 6.853647 1.547316 -0.799245


%chk=000289258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289258

0 1
O -4.591579 0.937805 -0.920123
O -2.769585 2.378644 1.240149
N -0.534797 -1.054527 0.520855
N 2.241501 1.315209 -0.466768
C -2.014835 -1.201166 0.477372
C -2.690525 -0.074008 1.320723
C -0.059124 0.226478 -0.070104
C -2.625435 -1.305673 -0.949959
C -4.239173 -0.100138 1.246561
C -0.596973 1.398084 0.795389
C -4.816412 -0.313046 -0.166931
C -4.152073 -1.514628 -0.876427
C -2.098904 1.326764 1.079679
C 0.210957 -2.260405 0.072162
C 1.447576 0.208942 -0.115832
C 1.680063 -2.213357 0.553388
C 2.266365 -0.878323 0.172293
C 3.638050 -0.440115 0.002834
C 3.592638 0.944747 -0.401143
C 4.901611 -1.072146 0.141813
C 4.759219 1.693988 -0.661990
C -5.375667 1.036114 -2.148903
C 6.070476 -0.328689 -0.117938
C 6.000540 1.039251 -0.514991
H -2.242381 -2.157517 0.994093
H -2.395723 -0.281780 2.374398
H -0.446430 0.366861 -1.112657
H -2.148914 -2.142313 -1.494844
H -2.431535 -0.378084 -1.521259
H -4.618882 -0.918265 1.889180
H -4.626809 0.854672 1.644255
H -0.386038 2.382295 0.337802
H -0.074746 1.360775 1.772544
H -5.914539 -0.483036 -0.082462
H -4.575911 -1.649432 -1.889866
H -4.388574 -2.438873 -0.309645
H 0.204885 -2.372111 -1.040029
H -0.300612 -3.143675 0.498120
H 2.244679 -3.046410 0.089965
H 1.714334 -2.364288 1.650541
H 1.894155 2.239665 -0.712006
H 4.968666 -2.122194 0.448720
H 4.711897 2.745227 -0.968323
H -6.458307 0.882267 -1.949807
H -5.049710 0.310577 -2.924109
H -5.217342 2.059158 -2.525704
H 7.051998 -0.804792 -0.014072
H 6.927125 1.590869 -0.709842


