%chk=000235193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235193

0 1
O -0.425953 -0.455749 0.013141
O -1.665660 -2.379602 0.037243
N -2.648767 -0.229551 0.013688
C 5.791090 -0.521990 0.000597
C 6.916208 0.521585 -0.015984
C 4.409070 0.145129 -0.005578
C 8.298724 -0.144679 -0.009749
C 3.284778 -0.899224 0.010900
C 9.423791 0.898641 -0.026561
C 1.906531 -0.228337 0.004842
C 10.807513 0.233607 -0.020486
C 0.798907 -1.274291 0.021063
C 11.931276 1.267478 -0.037059
C -4.979773 0.554862 0.007876
C -4.042886 -0.549406 0.019361
C -1.612930 -1.169498 0.023127
C -6.366421 0.249462 0.013370
C -4.488595 -1.856581 0.035148
C -4.579180 1.927699 -0.008607
C -6.800554 -1.113257 0.029784
C -7.318468 1.320232 0.002294
C -5.881229 -2.131529 0.040298
C -5.511352 2.935271 -0.018978
C -6.902101 2.626957 -0.013444
H 5.889582 -1.194420 -0.873546
H 5.893297 -1.170373 0.892303
H 6.815768 1.170133 -0.907665
H 6.819433 1.194245 0.858063
H 4.308673 0.793936 -0.897382
H 4.312337 0.817869 0.868725
H 8.396498 -0.817293 -0.883676
H 8.400277 -0.792911 0.881990
H 3.387789 -1.547081 0.903760
H 3.383986 -1.570876 -0.864641
H 9.328162 1.571953 0.846827
H 9.324268 1.547726 -0.917677
H 1.792857 0.423978 -0.884940
H 1.796526 0.447414 0.877432
H 10.905768 -0.438761 -0.895182
H 10.909616 -0.414615 0.871819
H 0.783814 -1.894560 0.933107
H 0.779853 -1.918392 -0.874246
H 12.914424 0.783726 -0.032847
H 11.882281 1.902850 -0.928649
H 11.886420 1.926650 0.837304
H -2.386532 0.763862 0.001782
H -3.785925 -2.697288 0.043907
H -3.516271 2.172970 -0.012946
H -7.868121 -1.322609 0.033716
H -8.379022 1.071274 0.006674
H -6.200542 -3.174491 0.052843
H -5.205160 3.979912 -0.031521
H -7.621374 3.444942 -0.021917


%chk=000235193-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235193

0 1
O -0.513788 -0.302447 0.015390
O -1.672768 -2.353234 0.035550
N -2.768871 -0.241412 0.014859
C 5.844474 -0.437811 0.002492
C 7.033329 0.548887 -0.024023
C 4.465409 0.259054 -0.012974
C 8.409034 -0.155256 -0.007410
C 3.285527 -0.738219 0.014363
C 9.603153 0.825203 -0.031903
C 1.904065 -0.042002 0.001514
C 10.976702 0.115896 -0.014436
C 0.766931 -1.062904 0.025709
C 12.165676 1.100646 -0.037837
C -5.114224 0.498200 0.010609
C -4.146818 -0.583916 0.016921
C -1.677526 -1.097376 0.023042
C -6.524583 0.158647 0.011321
C -4.576695 -1.920834 0.024464
C -4.754036 1.888130 0.003876
C -6.929547 -1.216014 0.018722
C -7.497792 1.212662 0.004820
C -5.968731 -2.226614 0.025355
C -5.725903 2.892542 -0.002244
C -7.114188 2.553958 -0.001920
H 5.918218 -1.122506 -0.868378
H 5.920885 -1.077539 0.906712
H 6.959984 1.188449 -0.928578
H 6.961896 1.233829 0.846826
H 4.386381 0.897367 -0.917573
H 4.389464 0.942629 0.858200
H 8.479936 -0.839933 -0.878640
H 8.480779 -0.796149 0.896477
H 3.370033 -1.377238 0.918035
H 3.365117 -1.420312 -0.857707
H 9.535141 1.510155 0.839340
H 9.534894 1.466211 -0.935962
H 1.808646 0.589902 -0.902496
H 1.812068 0.629003 0.877261
H 11.043708 -0.568057 -0.885228
H 11.043315 -0.524902 0.888634
H 0.793875 -1.693702 0.933898
H 0.787673 -1.729277 -0.856768
H 13.134695 0.568495 -0.023924
H 12.139738 1.731786 -0.946341
H 12.138181 1.775647 0.838517
H -2.518199 0.747492 0.005709
H -3.835051 -2.721686 0.029651
H -3.703280 2.202987 0.003906
H -7.998721 -1.455865 0.019208
H -8.559876 0.940059 0.005380
H -6.274477 -3.278394 0.031226
H -5.422468 3.944993 -0.007162
H -7.868685 3.347769 -0.006780


