%chk=000251552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251552

0 1
O -2.994236 -0.081917 -1.549794
O -1.571793 2.382852 1.050648
O -0.989573 -2.195772 0.975785
N -0.976464 0.130242 1.131152
C -3.260050 0.636209 0.662667
C -3.062724 -0.915528 0.636957
C -3.742591 0.924174 -0.792458
C -3.463757 -1.267472 -0.828817
C -5.198004 0.410147 -0.940334
C -5.002105 -1.129609 -0.965922
C -1.879696 1.222729 0.949020
C -1.578432 -1.146983 0.909998
C 0.482594 0.312031 1.348171
C 1.228152 0.444925 0.012323
C 2.732298 0.626975 0.246742
C 3.489463 0.764223 -1.081237
C 4.998889 0.954102 -0.877677
C 5.699293 -0.336755 -0.433195
C 7.207762 -0.123436 -0.244644
C 7.908631 -1.406417 0.196924
H -3.985217 0.977695 1.425009
H -3.676318 -1.452271 1.384668
H -3.499554 1.907300 -1.206030
H -2.984038 -2.144412 -1.273222
H -5.856898 0.738735 -0.125110
H -5.644244 0.773020 -1.880815
H -5.347156 -1.561679 -1.919636
H -5.554403 -1.639162 -0.164660
H 0.629002 1.223164 1.972945
H 0.858991 -0.564960 1.923745
H 1.044792 -0.450895 -0.614309
H 0.824046 1.302272 -0.562565
H 3.134892 -0.232714 0.818120
H 2.914105 1.521160 0.874309
H 3.087928 1.626069 -1.650068
H 3.303390 -0.124551 -1.715209
H 5.181844 1.757078 -0.137775
H 5.449119 1.313017 -1.824170
H 5.522636 -1.136815 -1.177473
H 5.250845 -0.703927 0.510096
H 7.657369 0.241466 -1.188778
H 7.384657 0.674805 0.502450
H 7.785278 -2.207689 -0.540578
H 7.511977 -1.775550 1.149527
H 8.984101 -1.244975 0.329519


%chk=000251552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251552

0 1
O -3.068332 0.031723 -1.555268
O -1.536394 2.332635 1.172882
O -1.058513 -2.315368 0.805155
N -1.001963 0.033634 1.056944
C -3.294815 0.611549 0.734388
C -3.134736 -0.938729 0.610126
C -3.809983 1.000321 -0.689787
C -3.578853 -1.194580 -0.867238
C -5.284446 0.533755 -0.841726
C -5.119725 -1.026370 -0.972115
C -1.883420 1.137241 1.012120
C -1.642669 -1.204691 0.826807
C 0.452704 0.166902 1.253349
C 1.211167 0.351204 -0.080646
C 2.732382 0.485629 0.147693
C 3.517554 0.652151 -1.174748
C 5.034724 0.894637 -0.983662
C 5.794940 -0.286921 -0.336407
C 7.322166 -0.057396 -0.267162
C 8.078939 -1.228169 0.396793
H -3.979706 0.951025 1.528188
H -3.725166 -1.531297 1.327471
H -3.574461 2.023937 -1.008367
H -3.139722 -2.083004 -1.339111
H -5.908683 0.831204 0.018677
H -5.727087 0.964070 -1.754603
H -5.474632 -1.382803 -1.952641
H -5.656988 -1.584515 -0.185826
H 0.616969 1.039906 1.910432
H 0.799832 -0.748190 1.766163
H 1.004967 -0.515593 -0.737564
H 0.826759 1.252599 -0.595470
H 3.100138 -0.407519 0.691635
H 2.933209 1.360441 0.801518
H 3.083235 1.502713 -1.739295
H 3.366204 -0.249936 -1.803518
H 5.184615 1.806217 -0.367409
H 5.490737 1.109622 -1.972220
H 5.590131 -1.213412 -0.913621
H 5.413187 -0.467607 0.688890
H 7.712433 0.103161 -1.293124
H 7.524283 0.879753 0.291262
H 7.912307 -2.171778 -0.156611
H 7.733052 -1.384950 1.436159
H 9.168456 -1.042296 0.427785


