%chk=000248504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248504

0 1
O 5.512325 0.550663 0.525055
N -3.513452 -0.526648 0.264244
N -5.501889 0.437599 -0.424339
C 3.050082 0.450407 0.127037
C 2.220190 -0.821150 -0.233078
C 0.783892 -0.725929 0.299621
C 0.097957 0.512250 -0.341965
C 4.489076 -0.000551 -0.327583
C 2.408791 1.633297 -0.617110
C -1.340219 0.695792 0.246794
C 3.099164 -1.991147 0.243466
C 0.940596 1.797415 -0.185397
C 4.543609 -1.525384 -0.032816
C -0.005758 -2.004796 -0.036413
C 3.094140 0.740522 1.634994
C -2.098937 -0.636171 0.140136
C -2.073134 1.785526 -0.579861
C -1.487692 -1.832325 0.046041
C 4.846070 0.346018 -1.771085
C -1.295362 1.080268 1.735423
C -3.536281 1.965281 -0.165828
C -4.242637 0.650941 -0.146362
C -4.437048 -1.696997 0.074926
C -5.786388 -1.019427 -0.302618
H 2.158697 -0.885992 -1.350530
H 0.800731 -0.596068 1.409288
H -0.009803 0.305406 -1.435757
H 2.457315 1.478478 -1.711066
H 2.962051 2.567719 -0.415680
H 2.863316 -2.925013 -0.288821
H 2.946961 -2.195747 1.316748
H 0.910743 2.138500 0.868841
H 0.481458 2.611341 -0.778700
H 5.201027 -1.700678 0.840117
H 4.994848 -2.080422 -0.868874
H 0.313713 -2.819473 0.645721
H 0.249409 -2.355282 -1.059960
H 3.544240 1.716033 1.841495
H 2.093122 0.730754 2.079698
H 3.700486 -0.004570 2.167076
H -2.024675 1.523405 -1.655881
H -1.543337 2.752134 -0.477689
H -2.044235 -2.764757 0.007431
H 5.868369 0.015636 -1.999625
H 4.174141 -0.142107 -2.484614
H 4.811890 1.423243 -1.959363
H -0.706169 0.353635 2.310199
H -0.849334 2.067804 1.887175
H -2.299354 1.093673 2.177048
H -4.054961 2.666247 -0.856224
H -3.608114 2.432922 0.841316
H 5.536668 1.520886 0.464223
H -4.499249 -2.256691 1.028081
H -4.081973 -2.387880 -0.713033
H -6.196230 -1.391166 -1.261789
H -6.561343 -1.175524 0.473968


%chk=000248504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248504

0 1
O 5.653946 0.663493 0.398642
N -3.525174 -0.535683 0.000107
N -5.594572 0.467272 -0.262541
C 3.108256 0.457139 0.190764
C 2.262002 -0.806313 -0.154986
C 0.792447 -0.730877 0.306548
C 0.114346 0.544379 -0.290682
C 4.536257 0.006334 -0.326964
C 2.448200 1.669782 -0.508246
C -1.369349 0.705025 0.208721
C 3.139044 -1.985448 0.337507
C 0.968376 1.827434 -0.064916
C 4.603134 -1.510535 0.059634
C 0.021748 -2.003837 -0.118126
C 3.201671 0.706496 1.721979
C -2.113899 -0.631902 0.017042
C -2.100033 1.792465 -0.646194
C -1.480523 -1.839774 -0.097264
C 4.764251 0.225997 -1.838687
C -1.435862 1.096962 1.718876
C -3.582226 1.966702 -0.245194
C -4.291498 0.638918 -0.172881
C -4.437202 -1.704540 -0.073249
C -5.842082 -1.009406 -0.107104
H 2.224937 -0.868075 -1.267357
H 0.763503 -0.669741 1.413537
H 0.057423 0.377852 -1.391745
H 2.474857 1.530987 -1.607755
H 2.996398 2.609421 -0.286028
H 2.902764 -2.931622 -0.180730
H 2.976917 -2.158625 1.418564
H 0.939312 2.115961 1.002044
H 0.525077 2.670802 -0.627814
H 5.250773 -1.613948 0.947008
H 5.071679 -2.092736 -0.753805
H 0.320657 -2.849989 0.533803
H 0.343698 -2.296260 -1.144218
H 3.743658 1.647117 1.925195
H 2.205788 0.782927 2.189873
H 3.759785 -0.095482 2.232652
H -2.033217 1.508803 -1.715588
H -1.586953 2.764379 -0.533848
H -2.074032 -2.754158 -0.223197
H 5.752033 -0.183183 -2.115584
H 3.998890 -0.281144 -2.453504
H 4.753361 1.300564 -2.105390
H -0.767526 0.460092 2.323603
H -1.144873 2.152270 1.874339
H -2.456561 0.966118 2.117909
H -4.122202 2.609541 -0.961014
H -3.655518 2.466664 0.739391
H 5.694255 1.614121 0.117849
H -4.293665 -2.366437 0.800470
H -4.232544 -2.293425 -0.990363
H -6.464607 -1.369089 -0.944667
H -6.407826 -1.181889 0.827684


