%chk=000201712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201712

0 1
O 0.291731 1.816621 -1.596182
O -5.718495 3.694198 -1.000476
O -1.808183 -0.230955 1.797383
O -4.792222 1.705007 -1.414082
O 6.438393 -1.099202 -1.218283
O 6.347298 -2.218994 0.743377
N -2.496014 0.595122 -0.198483
N 0.511790 0.578890 0.346832
C -1.617180 1.775869 -0.087917
C -2.125686 2.933944 -0.964771
C -3.436275 3.542649 -0.470720
C -0.180247 1.396489 -0.559304
C -2.579658 -0.329394 0.843426
C 1.838463 0.083016 0.182405
C -4.645321 2.839403 -1.010723
C -3.584784 -1.420466 0.702953
C 2.333010 -0.771073 1.196747
C 2.644817 0.419868 -0.920304
C 4.434656 -0.938401 -0.002821
C 3.624292 -1.273901 1.098019
C 3.936655 -0.092071 -1.006461
C -3.289966 -2.651963 1.310754
C -4.797047 -1.245132 0.020343
C -4.199177 -3.708066 1.220240
C -5.703609 -2.305004 -0.063406
C 5.798743 -1.497328 -0.061647
C -5.404884 -3.535352 0.532133
C 7.816800 -1.543821 -1.420083
C 8.756757 -0.695370 -0.588798
H -1.563235 2.101389 0.991096
H -2.213519 2.600343 -2.023725
H -1.339194 3.722570 -0.998875
H -3.489581 3.538783 0.643506
H -3.484398 4.623788 -0.745045
H -3.111492 0.551154 -1.021319
H -0.004465 0.235943 1.188541
H 1.711225 -1.036387 2.050644
H 2.260396 1.077513 -1.708011
H 4.022720 -1.935104 1.874407
H 4.573127 0.162992 -1.859924
H -2.350930 -2.771644 1.857630
H -5.044641 -0.285616 -0.444889
H -3.969089 -4.664612 1.688111
H -6.644884 -2.171220 -0.595140
H -6.555951 3.274906 -1.342482
H -6.113920 -4.360317 0.461567
H 7.928451 -1.383114 -2.507674
H 7.880936 -2.618053 -1.170076
H 9.805271 -0.899639 -0.832677
H 8.576266 0.375925 -0.743862
H 8.621452 -0.893982 0.485545


%chk=000201712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201712

0 1
O 0.286708 2.129514 -1.619598
O -5.939826 3.573735 -0.932780
O -1.593397 -0.334382 1.703481
O -4.737136 1.729672 -1.628805
O 6.524090 -1.100205 -1.248408
O 6.219396 -2.406120 0.664963
N -2.509580 0.682978 -0.161894
N 0.504007 0.674478 0.227434
C -1.624807 1.865614 -0.056315
C -2.207715 3.070912 -0.821811
C -3.605002 3.539015 -0.352886
C -0.176850 1.570224 -0.580936
C -2.486184 -0.326366 0.772232
C 1.814594 0.163649 0.066254
C -4.765265 2.836815 -1.031561
C -3.513940 -1.416985 0.679677
C 2.255580 -0.794394 1.024991
C 2.689284 0.561093 -0.984476
C 4.421174 -0.950382 -0.108776
C 3.543020 -1.342480 0.937021
C 3.978333 0.002820 -1.062071
C -3.376931 -2.506443 1.579008
C -4.593889 -1.409025 -0.244793
C -4.296049 -3.574373 1.554782
C -5.511343 -2.481574 -0.266992
C 5.774210 -1.562677 -0.156993
C -5.365785 -3.566513 0.628891
C 7.908927 -1.642154 -1.373501
C 8.893340 -0.816879 -0.538893
H -1.536387 2.102103 1.024593
H -2.211745 2.849070 -1.903712
H -1.495546 3.904038 -0.695681
H -3.728638 3.399221 0.740584
H -3.733830 4.621538 -0.530109
H -3.209137 0.704559 -0.916145
H -0.071423 0.282484 1.008288
H 1.578613 -1.101649 1.830687
H 2.346109 1.292726 -1.717727
H 3.892842 -2.079302 1.667213
H 4.655938 0.301239 -1.866728
H -2.541524 -2.487146 2.285894
H -4.744260 -0.578187 -0.943025
H -4.179233 -4.411156 2.251754
H -6.339944 -2.470152 -0.983360
H -6.688852 3.081088 -1.367197
H -6.079936 -4.397114 0.605247
H 8.120254 -1.570459 -2.452753
H 7.903979 -2.699214 -1.054044
H 9.923976 -1.180904 -0.708388
H 8.852224 0.249377 -0.821308
H 8.666761 -0.911526 0.536173


