%chk=000240644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240644

0 1
O -0.662284 1.646970 -0.159574
O -3.796576 -0.937654 0.592548
O 2.716819 1.875799 0.369767
N 2.489353 0.060109 -0.997759
N -0.401135 1.992270 2.067377
N -2.509159 -0.057521 -1.056920
N 0.459418 3.111678 1.930232
N -3.432255 -0.371977 -2.086469
C 0.295796 -1.356128 0.604714
C 1.636019 -0.855715 1.171105
C 2.748489 -0.916603 0.102736
C 0.453192 -2.825629 0.168798
C 2.877270 -2.341323 -0.471470
C 1.536654 -2.944487 -0.913935
C -0.842287 -1.168847 1.627929
C -1.741472 0.053831 1.337419
C -0.901054 1.275778 0.989545
C -2.777600 -0.336867 0.278043
C 2.400029 1.428059 -0.728230
C 1.913259 2.290966 -1.853499
H 0.051574 -0.758651 -0.311961
H 1.939889 -1.464311 2.042936
H 1.551147 0.183436 1.547523
H 3.720375 -0.614257 0.581779
H 0.712872 -3.459365 1.036991
H -0.506194 -3.215521 -0.220430
H 3.593222 -2.351330 -1.315884
H 3.330448 -2.985865 0.308758
H 1.682429 -4.010341 -1.176999
H 1.187993 -2.453380 -1.842911
H -0.431808 -1.081329 2.652486
H -1.488118 -2.073541 1.661494
H -2.349409 0.263550 2.263222
H 2.084888 -0.318016 -1.849752
H -0.553895 1.739395 3.044513
H -1.745660 0.571961 -1.368819
H 0.811261 2.387285 -1.789476
H 2.162761 1.922929 -2.853642
H 2.324632 3.307979 -1.764616
H 1.398634 2.799851 1.597296
H 0.099883 3.736523 1.194285
H -4.357552 0.029505 -1.870954
H -3.577550 -1.392216 -2.108595


%chk=000240644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240644

0 1
O -0.738379 1.672478 -0.229115
O -3.722474 -1.299848 0.629226
O 2.653141 1.949067 0.382233
N 2.569248 0.055984 -0.957921
N -0.478809 1.981125 2.049210
N -2.810920 0.131839 -0.959321
N 0.410667 3.087637 1.941520
N -3.672129 -0.320342 -2.003525
C 0.317420 -1.381197 0.596798
C 1.656272 -0.866740 1.182366
C 2.808746 -0.908886 0.147119
C 0.500057 -2.844735 0.122180
C 2.964965 -2.339628 -0.423137
C 1.627695 -2.937215 -0.937283
C -0.840376 -1.197222 1.617880
C -1.790414 0.028148 1.323273
C -0.983090 1.289606 0.968905
C -2.867385 -0.412255 0.301734
C 2.474125 1.416117 -0.766168
C 2.091232 2.245300 -1.982889
H 0.084787 -0.778155 -0.305960
H 1.944428 -1.508946 2.041144
H 1.562046 0.162287 1.565342
H 3.744392 -0.600668 0.653175
H 0.748969 -3.489351 0.991500
H -0.447902 -3.229276 -0.301868
H 3.731332 -2.352166 -1.223721
H 3.350269 -2.979621 0.394024
H 1.790021 -3.990747 -1.234720
H 1.297392 -2.405382 -1.854456
H -0.421087 -1.079624 2.636533
H -1.496785 -2.087229 1.645417
H -2.360714 0.218521 2.253939
H 2.403195 -0.316508 -1.894458
H -0.683524 1.674413 3.002745
H -2.034783 0.772015 -1.195248
H 1.035823 2.547904 -1.857424
H 2.196191 1.702119 -2.938436
H 2.709851 3.156860 -2.015168
H 1.285032 2.805553 1.452734
H -0.055300 3.868281 1.458691
H -4.529938 0.252507 -2.031404
H -3.918990 -1.305017 -1.815863


