%chk=000228481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228481

0 1
O -2.344192 1.512904 1.494984
O 2.524451 3.426287 0.299207
O 3.276174 1.316982 -2.944116
O 1.358922 1.841582 -2.088595
O 5.518228 -2.906999 0.955304
O 5.819974 -2.297242 -1.102365
O -2.170909 -0.023771 -2.451954
O -2.190412 1.784644 -1.260352
O -5.073253 -4.093157 1.200416
O -4.581247 -3.888006 -0.900181
N 1.106653 1.657113 0.620610
N -0.116447 1.137460 0.915660
N 2.446224 1.300016 -2.057236
N 5.262290 -2.229906 -0.024056
N -2.354162 0.587938 -1.420104
N -4.598822 -3.495597 0.251122
C 2.129698 0.647009 0.398387
C 2.794784 0.512192 -0.841357
C 2.468738 -0.191664 1.476203
C 3.835075 -0.421850 -0.971764
C 4.168027 -1.235734 0.114740
C 1.377676 3.088799 0.465406
C -1.119753 1.994315 1.033624
C -2.820721 0.284625 1.068214
C 3.483848 -1.133143 1.338967
C -2.850229 -0.184859 -0.261013
C -1.038098 3.434942 0.862638
C 0.183375 3.938421 0.589402
C -3.409400 -0.452046 2.118351
C -3.425805 -1.443705 -0.520141
C -3.989998 -2.174038 0.526175
C -3.997252 -1.676422 1.849251
H 1.930856 -0.098022 2.425725
H 4.382447 -0.513519 -1.928916
H 3.761766 -1.791062 2.174848
H -1.951073 4.030916 0.938933
H 0.363122 5.006308 0.415854
H -3.383128 -0.041834 3.132411
H -3.434122 -1.842794 -1.551904
H -4.459905 -2.273983 2.648322


%chk=000228481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228481

0 1
O -2.468378 1.653999 1.306306
O 2.590031 3.447980 0.257999
O 4.084077 2.068500 -2.479346
O 1.817333 2.218612 -2.274581
O 5.045670 -3.290664 0.738911
O 5.993674 -2.153862 -1.000632
O -1.969983 -0.455106 -2.424798
O -2.279229 1.602439 -1.489948
O -5.005044 -4.172226 1.653127
O -4.343233 -4.205998 -0.533012
N 1.015188 1.692822 0.396780
N -0.245689 1.207210 0.709123
N 2.968909 1.765135 -1.919786
N 5.088324 -2.308890 -0.097139
N -2.315823 0.312933 -1.452387
N -4.459031 -3.634215 0.615607
C 2.005693 0.674884 0.187593
C 3.002715 0.752361 -0.824591
C 2.019709 -0.434390 1.067680
C 4.024264 -0.209111 -0.912015
C 4.014385 -1.284785 -0.007667
C 1.390028 3.096575 0.423635
C -1.189800 2.105359 0.936195
C -2.897165 0.343729 1.041126
C 3.010388 -1.424756 0.973526
C -2.830576 -0.327381 -0.215862
C -1.004259 3.530337 0.920943
C 0.265121 3.999603 0.674895
C -3.516612 -0.303771 2.134836
C -3.327847 -1.638025 -0.349906
C -3.925366 -2.254461 0.760934
C -4.041798 -1.598876 2.006614
H 1.243752 -0.495350 1.834637
H 4.797449 -0.127348 -1.680316
H 3.032854 -2.281687 1.651149
H -1.860435 4.186003 1.094597
H 0.500313 5.066282 0.648421
H -3.564378 0.235296 3.084717
H -3.259665 -2.155417 -1.310790
H -4.522164 -2.110639 2.844123


