%chk=000203192.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203192

0 1
O 2.674515 0.135170 -0.785332
O -0.106321 0.791406 2.323177
O -3.783049 -1.127457 -2.724627
O 2.360864 0.733524 1.375625
N 6.191994 -0.698962 0.088785
N -6.343015 -1.116404 -0.233902
N -3.695489 -0.369035 -0.540653
C 4.706990 -0.873861 0.115213
C 6.668955 0.015646 1.321215
C 6.908086 -2.002157 -0.107425
C 4.119236 0.330048 -0.632108
C -7.537161 -0.302030 0.183697
C 8.040581 0.639527 1.060837
C 6.728301 -2.489217 -1.545827
C -5.892745 -0.851800 -1.623156
C -7.030409 1.036261 0.736625
C -8.326663 -1.075816 1.245760
C 0.467110 0.168265 0.042555
C -2.296536 -0.210448 -0.375059
C -4.360523 -0.821928 -1.701036
C 1.881202 0.376165 0.300895
C -0.469437 0.391140 1.086853
C -1.846760 0.203883 0.888841
C -0.024636 -0.250091 -1.214736
C -1.375891 -0.439302 -1.430026
H 4.276484 -0.932395 1.139434
H 4.401776 -1.811003 -0.399234
H 5.941259 0.823677 1.562883
H 6.710392 -0.646042 2.213111
H 6.579720 -2.786178 0.608400
H 7.991636 -1.828972 0.085179
H 4.302539 1.287725 -0.117679
H 4.442337 0.381565 -1.687443
H -8.215291 -0.098904 -0.688001
H 8.822988 -0.118932 0.946104
H 8.331639 1.302735 1.881752
H 8.031935 1.231235 0.135124
H 7.364762 -3.356072 -1.749594
H 6.993830 -1.699268 -2.261669
H 5.691988 -2.775713 -1.758096
H -6.511253 -2.119285 -0.106805
H -6.250552 -1.608869 -2.359339
H -6.259252 0.132580 -2.000418
H -7.862222 1.678643 1.044563
H -6.386250 0.889335 1.612697
H -6.441708 1.586852 -0.005381
H -8.764303 -1.997712 0.848672
H -9.151566 -0.469164 1.639004
H -7.696950 -1.348057 2.103185
H -4.282635 -0.203262 0.296379
H -2.521818 0.384965 1.721260
H 0.694987 -0.422959 -2.022577
H -1.741274 -0.767396 -2.409458
H 0.918002 0.919144 2.420152


%chk=000203192-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203192

0 1
O 2.503536 0.060708 -0.783734
O -0.249171 0.066886 2.454899
O -4.143348 -1.355830 -2.860293
O 2.138789 0.321262 1.504271
N 6.115182 -0.676438 0.085020
N -6.454953 -1.148749 0.033590
N -3.865271 -0.980034 -0.533521
C 4.699550 -0.988500 -0.218608
C 6.341628 -0.366864 1.524324
C 7.087750 -1.644489 -0.483901
C 3.958616 0.320937 -0.550347
C -7.249879 0.102658 0.246350
C 7.525933 0.590851 1.754830
C 7.252113 -1.498017 -2.008626
C -6.092583 -1.478030 -1.365200
C -6.412562 1.352967 -0.094237
C -7.735084 0.132734 1.708910
C 0.272104 -0.204671 0.057967
C -2.487517 -0.729697 -0.375160
C -4.590919 -1.256039 -1.679876
C 1.682991 0.072885 0.329034
C -0.653807 -0.194857 1.161164
C -2.020068 -0.456853 0.933018
C -0.223825 -0.483892 -1.246734
C -1.578092 -0.745038 -1.480425
H 4.186866 -1.498092 0.628714
H 4.641812 -1.664789 -1.089575
H 5.420476 0.103924 1.915663
H 6.490156 -1.303158 2.118826
H 6.811382 -2.699452 -0.231892
H 8.065602 -1.454525 -0.005238
H 4.063822 1.051427 0.269415
H 4.317735 0.749344 -1.497653
H -8.145519 0.097203 -0.421339
H 8.479972 0.162265 1.397361
H 7.640534 0.808823 2.833134
H 7.357734 1.540135 1.217004
H 7.994575 -2.223510 -2.390496
H 7.592038 -0.477371 -2.256350
H 6.302135 -1.680041 -2.543935
H -6.893069 -1.942250 0.517515
H -6.303266 -2.541730 -1.586004
H -6.670253 -0.885968 -2.102824
H -7.031886 2.261781 0.012832
H -5.545587 1.440243 0.585741
H -6.033293 1.326306 -1.131494
H -8.369304 -0.743673 1.944581
H -8.333443 1.040925 1.897900
H -6.873516 0.134552 2.401304
H -4.506417 -0.937432 0.287226
H -2.700206 -0.444243 1.790742
H 0.486584 -0.489151 -2.078446
H -1.957124 -0.958663 -2.481003
H 0.760749 0.234027 2.433972


