%chk=000190436.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190436

0 1
O -0.615658 0.662765 -0.064600
O -3.858152 -2.028157 0.407991
O -1.049569 2.400929 1.305923
O 1.735467 0.796000 -0.797360
N -2.845262 1.216713 0.403249
N 0.849908 -1.025203 0.310411
C -3.296979 0.118829 -0.487785
C -4.811416 0.342470 -0.653012
C -5.246063 1.342402 0.435549
C -3.973388 2.038073 0.942557
C -2.961328 -1.244462 0.174084
C -1.535654 1.520019 0.649549
C -1.546859 -1.548568 0.405022
C -0.514868 -0.670725 0.233687
C -1.269377 -2.967772 0.801548
C 4.414715 0.177219 -0.215837
C 3.284804 -0.729592 0.292802
C 5.788222 -0.346940 0.216232
C 1.939805 -0.189357 -0.140096
C 6.913983 0.564645 -0.293490
C 8.288506 0.053167 0.130205
H -2.765706 0.173520 -1.473908
H -5.361515 -0.617408 -0.548120
H -5.037816 0.730451 -1.660959
H -5.972058 2.072495 0.039072
H -5.754562 0.809741 1.261764
H -3.885972 3.082082 0.571409
H -3.917867 2.067516 2.051590
H -0.709750 -3.031721 1.742570
H -0.730932 -3.515396 0.018111
H -2.216151 -3.515975 0.970879
H 1.052521 -1.960706 0.676365
H 4.360674 0.258501 -1.320861
H 4.259519 1.210912 0.157996
H 3.433411 -1.762268 -0.084230
H 3.328718 -0.797382 1.401102
H 5.941946 -1.375857 -0.162028
H 5.839538 -0.419816 1.319874
H 6.867161 0.640908 -1.397878
H 6.765247 1.595294 0.085693
H 8.384210 0.004316 1.220907
H 8.486599 -0.950599 -0.262353
H 9.084747 0.710737 -0.237819


%chk=000190436-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190436

0 1
O -0.636472 0.850836 -0.068246
O -3.779300 -2.078835 0.387278
O -1.385129 2.815113 1.005251
O 1.851638 1.145781 1.345736
N -2.940692 1.280053 0.157422
N 0.862867 -0.821495 0.496921
C -3.214934 0.066487 -0.663435
C -4.716194 0.198622 -0.998317
C -5.297997 1.000017 0.196469
C -4.180268 2.007869 0.550251
C -2.879358 -1.205834 0.163938
C -1.702693 1.751474 0.452407
C -1.496643 -1.383159 0.626266
C -0.487796 -0.453076 0.384558
C -1.163347 -2.698622 1.311359
C 4.388695 0.189462 0.115453
C 3.321611 -0.729179 0.761414
C 5.797823 -0.441253 0.130686
C 1.970668 -0.017748 0.897545
C 6.866774 0.465582 -0.521518
C 8.277900 -0.160356 -0.501721
H -2.575116 0.081366 -1.566708
H -5.178071 -0.795971 -1.095460
H -4.842466 0.757393 -1.942837
H -6.244038 1.507972 -0.052090
H -5.481273 0.318413 1.045105
H -4.258129 2.943978 -0.035314
H -4.141525 2.274830 1.619678
H -0.491872 -2.552823 2.176194
H -0.691191 -3.429884 0.622664
H -2.102708 -3.158908 1.658552
H 1.060935 -1.811106 0.330174
H 4.092788 0.420090 -0.927405
H 4.393566 1.151090 0.661722
H 3.229490 -1.671162 0.185672
H 3.660843 -1.000360 1.781839
H 5.779156 -1.418777 -0.396182
H 6.093315 -0.657204 1.179078
H 6.570971 0.683089 -1.567976
H 6.885056 1.441103 0.005008
H 8.610092 -0.357313 0.535120
H 8.293577 -1.122813 -1.047501
H 9.022249 0.507057 -0.973244


