%chk=000215832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215832

0 1
O 1.179690 -0.722678 -0.664219
O 1.518748 -1.694798 1.351331
O 8.069809 0.766491 0.831271
O 7.561560 1.667845 -1.069465
N -2.474715 -0.717205 0.012274
N 7.293220 1.016690 -0.074402
C -5.464334 -0.642575 -0.862007
C -7.023710 0.792106 -0.043956
C -4.857654 -0.211495 0.511932
C -5.891053 0.848883 1.034168
C -6.978399 -0.693061 -0.503711
C -5.421046 0.548501 -1.859873
C -6.497905 1.523547 -1.311899
C -3.432060 0.351859 0.437695
C -6.403081 0.528141 2.434209
C -1.054529 -0.313233 0.229326
C -0.204359 -1.198069 -0.690506
C 1.950255 -1.049508 0.423853
C 3.328493 -0.500124 0.264569
C 4.259945 -0.762069 1.281592
C 3.686722 0.253442 -0.862086
C 5.560324 -0.267128 1.174233
C 4.985748 0.752257 -0.976916
C 5.908228 0.486043 0.044147
H -5.025115 -1.564182 -1.259320
H -7.994657 1.151973 0.310363
H -4.859085 -1.097457 1.186423
H -5.436559 1.863057 1.045458
H -7.626671 -0.908579 -1.360596
H -7.229431 -1.410711 0.284528
H -4.421994 1.010029 -1.899207
H -5.657125 0.214991 -2.880494
H -7.306818 1.681484 -2.040218
H -6.082762 2.513550 -1.080266
H -3.379801 1.163385 -0.326382
H -3.165270 0.810545 1.414673
H -6.917444 -0.439102 2.471887
H -7.115850 1.286157 2.778921
H -5.584337 0.493517 3.161230
H -2.664810 -1.582091 0.532362
H -0.909973 0.754209 -0.047869
H -0.711129 -0.416491 1.282604
H -0.224848 -2.262806 -0.404516
H -0.456396 -1.072050 -1.760309
H 3.959972 -1.354113 2.153643
H 2.946364 0.446166 -1.646324
H 6.304001 -0.459644 1.956311
H 5.287839 1.343602 -1.849062


%chk=000215832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215832

0 1
O 1.206981 -0.585694 -0.732327
O 1.596378 -1.786598 1.233762
O 8.270121 0.483065 0.943227
O 7.784715 1.640538 -0.961344
N -2.468878 -0.520520 0.103086
N 7.456845 0.865832 0.017323
C -5.455494 -0.675270 -0.825240
C -7.125608 0.681519 -0.060452
C -4.895810 -0.151313 0.538177
C -6.017351 0.847115 1.033785
C -6.965785 -0.813240 -0.470689
C -5.494838 0.470238 -1.879567
C -6.649945 1.404557 -1.355762
C -3.488145 0.468136 0.525600
C -6.507377 0.547128 2.465100
C -1.076898 -0.034590 0.096474
C -0.220884 -1.023305 -0.714252
C 2.007628 -1.034407 0.316062
C 3.410237 -0.522419 0.203842
C 4.340936 -0.917815 1.199667
C 3.815472 0.331933 -0.854427
C 5.671830 -0.466558 1.145497
C 5.144361 0.790792 -0.920777
C 6.050723 0.382853 0.082487
H -4.946898 -1.584499 -1.183307
H -8.127666 0.990936 0.283207
H -4.870938 -1.017782 1.237108
H -5.629484 1.886769 1.008708
H -7.593050 -1.093787 -1.336278
H -7.159660 -1.522747 0.354319
H -4.527038 0.992129 -1.974779
H -5.736549 0.058009 -2.876374
H -7.471977 1.473526 -2.091960
H -6.303476 2.433701 -1.147042
H -3.450980 1.321647 -0.179822
H -3.277385 0.890485 1.541379
H -6.979014 -0.452113 2.524652
H -7.253124 1.292514 2.799814
H -5.667648 0.563096 3.186183
H -2.563176 -1.399369 0.632079
H -1.056083 0.954637 -0.397293
H -0.634177 0.092633 1.112884
H -0.273251 -2.039037 -0.282157
H -0.526432 -1.036918 -1.770543
H 3.999913 -1.577203 2.003625
H 3.085425 0.624956 -1.612666
H 6.412096 -0.753206 1.896472
H 5.489355 1.448946 -1.722064


