%chk=000216803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216803

1 1
O -0.666991 3.951101 -0.474106
O -1.313141 -1.131150 -2.259101
O -1.641579 -3.328906 -0.479472
O 1.292426 0.598794 0.930426
N -2.196291 2.871582 0.653412
N -1.969750 3.962808 -0.040365
N 1.227313 2.533939 -0.324956
N 3.207082 1.192020 -0.293736
C -4.319277 1.624829 0.299441
C -3.536352 2.557093 1.234712
C -3.637545 0.296713 0.119128
C -2.801995 0.099249 -0.995894
C -3.822539 -0.728620 1.044411
C -2.142361 -1.119373 -1.168035
C -1.062809 2.064366 0.725041
C -2.338726 -2.171492 -0.218090
C -3.177944 -1.964339 0.873928
C -0.073837 2.745480 -0.000972
C 1.919916 1.310678 0.182558
C 4.100475 0.106818 0.075767
C -0.794077 -2.410501 -2.715223
C -1.935370 -4.491089 0.340373
C 5.377539 0.130405 -0.515851
C 3.725855 -0.903709 0.968083
C 6.283354 -0.881888 -0.195815
C 4.652919 -1.907150 1.273090
C 5.925055 -1.899899 0.696801
H -4.505094 2.112427 -0.683771
H -5.341220 1.480061 0.726309
H -3.376281 2.077562 2.234385
H -4.100034 3.510436 1.404981
H -2.680463 0.867397 -1.757194
H -4.479757 -0.594216 1.902483
H -0.994703 1.086346 1.212992
H -3.346787 -2.753970 1.605303
H 1.701102 3.231060 -0.914279
H 3.593932 1.876765 -0.950703
H -0.282274 -2.125115 -3.642034
H -0.098575 -2.814314 -1.970413
H -1.615288 -3.107831 -2.908249
H -1.299768 -5.254850 -0.129368
H -1.631220 -4.311831 1.375240
H -2.992639 -4.760654 0.260084
H 5.671219 0.914773 -1.210733
H 2.734454 -0.925991 1.428068
H 7.278833 -0.877333 -0.645829
H 4.373262 -2.700167 1.970145
H 6.641554 -2.685813 0.941428


%chk=000216803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216803

1 1
O -0.624414 3.917055 -0.470454
O -1.217309 -1.186944 -2.320271
O -1.482996 -3.328321 -0.429814
O 1.207595 0.515573 1.103562
N -2.196023 2.919139 0.697136
N -2.016593 4.042219 -0.055199
N 1.202387 2.445764 -0.235500
N 3.127629 1.100387 -0.155445
C -4.319885 1.648260 0.231803
C -3.566196 2.628137 1.191861
C -3.630762 0.308756 0.058252
C -2.786258 0.077297 -1.057546
C -3.786554 -0.726259 1.011866
C -2.083948 -1.135111 -1.225642
C -1.093811 2.098622 0.805828
C -2.233043 -2.167037 -0.240305
C -3.100357 -1.950367 0.859809
C -0.090631 2.736816 0.059793
C 1.844525 1.251814 0.307556
C 4.058198 0.058982 0.179785
C -1.159094 -2.414392 -3.153042
C -1.623197 -4.414204 0.553723
C 5.333209 0.130591 -0.439799
C 3.750192 -0.994685 1.077105
C 6.303058 -0.852214 -0.162798
C 4.735533 -1.969460 1.343359
C 6.008319 -1.908022 0.731594
H -4.461660 2.155345 -0.739441
H -5.321651 1.522036 0.683301
H -3.461496 2.192280 2.198354
H -4.094770 3.592800 1.262334
H -2.671299 0.828531 -1.847833
H -4.457821 -0.593082 1.868616
H -1.064144 1.167469 1.358156
H -3.239046 -2.735382 1.608516
H 1.702863 3.103300 -0.842764
H 3.488543 1.782472 -0.828189
H -0.526654 -2.134954 -4.008488
H -0.717491 -3.250561 -2.591231
H -2.171296 -2.684869 -3.505486
H -0.951632 -5.206977 0.195765
H -1.306765 -4.080692 1.559739
H -2.662676 -4.790219 0.586104
H 5.569889 0.948148 -1.133588
H 2.768311 -1.047284 1.549985
H 7.285126 -0.793217 -0.642263
H 4.503464 -2.783977 2.037257
H 6.762235 -2.671063 0.948334


