%chk=000216582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216582

0 1
O 0.042301 2.536403 -0.671526
O 3.481032 -2.052729 -1.263784
O 5.365236 -0.850866 0.514490
N -5.096611 -2.027583 1.427619
N -0.834456 0.473699 -0.100217
C -3.165713 -0.239593 0.201350
C -2.691649 -1.501304 0.873088
C -4.536536 0.015464 0.039097
C -3.790493 -2.576733 0.975799
C -5.578615 -0.991610 0.472843
C -2.235537 0.736355 -0.251962
C -4.978230 1.205780 -0.559134
C -2.685017 1.926229 -0.845349
C -4.053693 2.153143 -0.994573
C 0.218561 1.382941 -0.334795
C 1.573804 0.785643 -0.092816
C 1.973460 -0.374231 -0.773200
C 2.441777 1.430681 0.788270
C 3.249747 -0.900104 -0.550309
C 4.133498 -0.247503 0.360426
C 3.723057 0.911865 1.018993
C 4.817327 -2.615462 -1.239731
C 6.333259 -0.189555 1.367817
H -1.825337 -1.933134 0.330413
H -2.324880 -1.245090 1.890303
H -3.938173 -3.067400 -0.011991
H -3.485282 -3.376634 1.683366
H -6.456969 -0.481054 0.927543
H -5.965584 -1.518626 -0.433675
H -4.985008 -1.604861 2.357677
H -6.042748 1.390672 -0.682769
H -1.967941 2.681076 -1.186833
H -4.396309 3.079590 -1.455434
H -0.588117 -0.471475 0.210340
H 1.318013 -0.868632 -1.491715
H 2.128881 2.346477 1.293601
H 4.384974 1.426856 1.711162
H 5.065832 -2.943016 -0.224112
H 5.543654 -1.884626 -1.608344
H 4.713195 -3.464458 -1.925467
H 7.197506 -0.860948 1.281191
H 5.968052 -0.151807 2.398142
H 6.568730 0.805359 0.978705


%chk=000216582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216582

0 1
O 0.108326 2.729530 -0.347771
O 3.239987 -2.464123 -0.032635
O 5.439778 -0.816000 0.718724
N -4.994912 -2.277986 0.994749
N -0.851784 0.615330 0.050005
C -3.143467 -0.225891 0.099517
C -2.604312 -1.604965 0.491552
C -4.538548 -0.001747 -0.032098
C -3.694675 -2.712720 0.441389
C -5.538231 -1.138263 0.223701
C -2.242848 0.868879 -0.121103
C -5.020817 1.277150 -0.403592
C -2.733083 2.147255 -0.493101
C -4.122748 2.337657 -0.637048
C 0.229524 1.489308 -0.096373
C 1.582612 0.856352 0.094111
C 1.837346 -0.528861 -0.083549
C 2.662404 1.705507 0.432445
C 3.123744 -1.071544 0.103520
C 4.197721 -0.207846 0.491290
C 3.953346 1.180463 0.632688
C 4.327360 -2.994044 -0.884067
C 6.545259 0.038380 1.168064
H -1.774464 -1.908545 -0.183950
H -2.179629 -1.563219 1.518594
H -3.869502 -3.008364 -0.611102
H -3.347220 -3.611635 0.981456
H -6.425542 -0.742144 0.750527
H -5.901347 -1.529510 -0.749370
H -4.922675 -2.054692 1.998046
H -6.101812 1.437931 -0.501439
H -2.025639 2.962389 -0.650986
H -4.500183 3.326442 -0.920453
H -0.613909 -0.327889 0.360518
H 1.065467 -1.231968 -0.417221
H 2.467794 2.777475 0.532901
H 4.766287 1.855997 0.914574
H 5.314872 -2.753512 -0.459480
H 4.245631 -2.586385 -1.910175
H 4.164076 -4.082239 -0.900216
H 7.395193 -0.645713 1.305318
H 6.301774 0.530819 2.128481
H 6.797842 0.802139 0.408057


