%chk=000238471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238471

0 1
O -0.455560 2.450668 0.951815
N 4.238811 1.253455 -0.425032
N -0.031330 -1.080740 1.387131
C 0.448143 0.612709 -0.323631
C 1.822572 1.160580 0.103008
C 2.976629 0.468772 -0.638406
C 0.301488 -0.834584 0.088446
C -0.674580 1.474130 0.280118
C -2.064430 1.034501 -0.076412
C 0.523113 -1.874731 -0.837381
C 5.281822 0.827338 -1.406916
C 4.750043 1.089012 0.968255
C -2.554658 1.228306 -1.373451
C -2.871186 0.450930 0.907965
C 0.402201 -3.196624 -0.404659
C -0.144012 -2.372666 1.790260
C 0.066714 -3.459439 0.927105
C -3.858116 0.831491 -1.685818
C -4.172304 0.051379 0.588026
C -4.665349 0.241700 -0.706837
H 0.353887 0.693700 -1.438290
H 1.938754 1.054639 1.201511
H 1.856832 2.257234 -0.081466
H 3.060082 -0.590959 -0.315333
H 2.762119 0.453726 -1.729317
H 0.781432 -1.651695 -1.868894
H 4.921533 1.036335 -2.426608
H 5.572729 -0.231035 -1.347642
H 6.184596 1.441458 -1.256079
H 5.646137 1.716699 1.097014
H 5.003894 0.057674 1.251542
H 3.992438 1.465126 1.675992
H -1.931531 1.695484 -2.133985
H -2.478287 0.307437 1.916912
H 0.567558 -4.018527 -1.101559
H -0.412341 -2.522258 2.842952
H -0.032172 -4.479493 1.287719
H -4.245808 0.984504 -2.691345
H -4.802222 -0.404104 1.350284
H -5.680241 -0.066836 -0.953193


%chk=000238471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238471

0 1
O -0.476149 2.068531 1.423098
N 4.254474 1.323019 -0.351354
N 0.206012 -1.396671 1.238119
C 0.447930 0.542231 -0.252945
C 1.811204 1.116635 0.216386
C 2.998972 0.573131 -0.601457
C 0.380700 -0.971570 -0.052706
C -0.715886 1.243789 0.498653
C -2.136641 0.949117 0.096563
C 0.525429 -1.883179 -1.129644
C 5.311281 0.947077 -1.312067
C 4.727240 1.220782 1.045328
C -2.478100 0.243191 -1.088000
C -3.178683 1.432154 0.934039
C 0.489865 -3.270556 -0.870006
C 0.170846 -2.738337 1.475743
C 0.306980 -3.712890 0.460463
C -3.831177 0.026739 -1.426515
C -4.528728 1.209288 0.601260
C -4.859711 0.505607 -0.582462
H 0.327579 0.751075 -1.336991
H 1.916857 0.886076 1.290639
H 1.788335 2.217352 0.122625
H 3.130865 -0.523439 -0.399949
H 2.770604 0.674416 -1.682616
H 0.670174 -1.508524 -2.149234
H 4.954460 1.116336 -2.344244
H 5.631006 -0.124415 -1.228270
H 6.202433 1.579966 -1.150766
H 5.654867 1.809413 1.160510
H 4.942734 0.166563 1.359682
H 3.976312 1.638039 1.735956
H -1.696746 -0.134815 -1.754376
H -2.897602 1.979984 1.839364
H 0.603087 -3.991222 -1.687113
H 0.025655 -3.033143 2.521678
H 0.269974 -4.778512 0.707333
H -4.084244 -0.513222 -2.345555
H -5.323052 1.581490 1.257511
H -5.909755 0.333790 -0.844877


