%chk=000198102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198102

0 1
O -0.075762 0.938592 0.029540
O 1.720841 -2.593616 -0.791506
O 3.377866 -0.312921 0.067992
O -0.737378 -2.579352 0.822952
O 1.670696 3.343826 0.517481
O -3.938740 -0.212011 -0.930357
N -2.199913 0.127718 0.344915
N -2.819388 -0.528596 -0.644776
C 1.283523 -1.604381 0.145236
C 2.004976 -0.312538 -0.300618
C -0.257130 -1.491358 0.024262
C 1.342723 0.947670 0.309394
C -0.781441 -0.169776 0.643488
C 1.840311 2.235561 -0.366678
C -2.782481 1.285664 1.076104
H 1.571670 -1.919466 1.173388
H 2.053118 -0.273481 -1.419037
H -0.568452 -1.617204 -1.038921
H 1.496738 1.000566 1.409978
H -0.618712 -0.147905 1.750409
H 1.313411 2.421294 -1.320481
H 2.939067 2.198366 -0.528763
H 1.378818 -3.479210 -0.522280
H 3.505664 -0.540405 1.012692
H -1.662870 -2.804230 0.569619
H -2.117905 2.163440 1.011834
H -2.950516 1.031024 2.134232
H -3.757719 1.564890 0.632870
H 0.715884 3.552538 0.613031


%chk=000198102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198102

0 1
O -0.043873 1.047099 0.050090
O 1.837736 -2.657015 -0.466520
O 3.419657 -0.329317 0.176396
O -0.849660 -2.619924 0.477687
O 1.413966 3.470116 0.444365
O -4.131785 -0.598528 -0.467909
N -2.192268 0.137147 0.427831
N -2.882330 -0.820861 -0.307719
C 1.255113 -1.514945 0.238328
C 2.020791 -0.274514 -0.244457
C -0.249485 -1.397199 -0.050017
C 1.413683 0.999035 0.372261
C -0.764079 -0.104465 0.633098
C 2.002121 2.291971 -0.194500
C -2.839828 1.324715 1.009011
H 1.398739 -1.632395 1.335664
H 1.943433 -0.233409 -1.353160
H -0.417031 -1.301605 -1.141423
H 1.541565 0.980669 1.475539
H -0.559146 -0.140670 1.728369
H 1.853609 2.312278 -1.295098
H 3.079493 2.327273 0.026195
H 1.293746 -3.455836 -0.241350
H 3.775569 -1.212780 -0.102324
H -1.786937 -2.640396 0.141788
H -2.237132 2.216835 0.779657
H -2.938396 1.216644 2.105205
H -3.843738 1.412349 0.563856
H 0.433368 3.422429 0.305139


