%chk=000231468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231468

0 1
O -2.814476 -1.617397 1.250311
O -3.623555 2.671345 -0.224078
N -3.007429 0.641129 0.726414
C -4.389021 -0.877682 -0.502625
C -4.660023 0.568112 -1.003814
C -5.623157 -1.618971 0.036935
C -6.120978 1.032595 -0.886416
C -3.323755 -0.744209 0.593054
C -3.742458 1.472894 -0.172615
C -1.968000 1.165360 1.650336
C -6.840670 -1.319928 -0.785896
C -7.073992 -0.076420 -1.219038
C -0.581223 1.211050 0.992769
C 0.121891 -0.151077 1.014704
C 1.449453 -0.110075 0.247637
C 2.158313 -1.470793 0.284330
C 3.482004 -1.465574 -0.492587
C 4.589478 -0.694048 0.237878
C 5.903973 -0.712696 -0.553757
C 7.010674 0.058472 0.178281
C 8.325153 0.040207 -0.613189
C 9.433005 0.811393 0.118176
C 10.743865 0.796511 -0.665193
H -3.956478 -1.478688 -1.340426
H -4.351644 0.645907 -2.075792
H -5.412243 -2.707207 0.071505
H -5.823501 -1.323295 1.091264
H -6.333623 1.387714 0.146972
H -6.279530 1.915084 -1.539131
H -1.954983 0.521974 2.560267
H -2.276104 2.190917 1.962378
H -7.505194 -2.154723 -0.989316
H -7.945999 0.194213 -1.807470
H -0.666237 1.584071 -0.047441
H 0.039978 1.962305 1.520685
H -0.543006 -0.929292 0.587790
H 0.298463 -0.467158 2.061512
H 2.110870 0.668324 0.675152
H 1.271615 0.191596 -0.802373
H 2.338002 -1.774140 1.333989
H 1.491276 -2.247863 -0.138480
H 3.325817 -1.036461 -1.501029
H 3.807645 -2.511052 -0.660287
H 4.748137 -1.128148 1.243738
H 4.267453 0.351233 0.410181
H 6.225163 -1.758012 -0.725953
H 5.744316 -0.277470 -1.559008
H 7.170505 -0.377031 1.183468
H 6.689638 1.103812 0.350682
H 8.166852 0.475286 -1.618592
H 8.647448 -1.004503 -0.786170
H 9.112499 1.857555 0.290116
H 9.593799 0.375583 1.123649
H 11.527927 1.349018 -0.135662
H 11.109646 -0.224845 -0.820219
H 10.628624 1.256200 -1.653318


%chk=000231468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231468

0 1
O -2.989049 -1.479593 1.836943
O -3.562420 2.475975 -0.607776
N -3.030760 0.623235 0.755962
C -4.492765 -1.055488 -0.120625
C -4.700339 0.265322 -0.919860
C -5.793998 -1.630409 0.525018
C -6.169488 0.795405 -0.904639
C -3.431551 -0.723700 0.937605
C -3.725794 1.271226 -0.292437
C -2.018992 1.298760 1.592930
C -6.962070 -1.511667 -0.438009
C -7.143417 -0.349633 -1.120639
C -0.636718 1.397707 0.906434
C 0.016625 0.031609 0.603961
C 1.436285 0.166247 0.009263
C 2.082150 -1.201963 -0.311140
C 3.478279 -1.112064 -0.973861
C 4.580149 -0.516037 -0.066329
C 5.981774 -0.553528 -0.716199
C 7.093383 0.031287 0.184255
C 8.495655 -0.018489 -0.463474
C 9.609653 0.558554 0.439758
C 11.007142 0.501171 -0.214509
H -4.076687 -1.837463 -0.781971
H -4.410103 0.123644 -1.976773
H -5.617956 -2.671764 0.841348
H -6.018767 -1.057927 1.449458
H -6.368360 1.270672 0.078884
H -6.281782 1.588521 -1.662207
H -1.946938 0.716421 2.529194
H -2.400242 2.310850 1.818531
H -7.649557 -2.357857 -0.553301
H -7.983389 -0.215860 -1.812402
H -0.735770 1.990328 -0.023530
H 0.022164 1.979639 1.582514
H -0.620211 -0.538786 -0.103127
H 0.058377 -0.572681 1.533011
H 2.074493 0.727812 0.721125
H 1.392911 0.774972 -0.918840
H 2.159364 -1.796579 0.623468
H 1.399817 -1.765652 -0.980823
H 3.405468 -0.510177 -1.904200
H 3.792965 -2.129379 -1.286461
H 4.605116 -1.078783 0.890894
H 4.330852 0.532392 0.194599
H 6.235638 -1.603106 -0.975258
H 5.955730 0.004287 -1.676020
H 7.114734 -0.523504 1.145880
H 6.844314 1.083033 0.438735
H 8.477387 0.540091 -1.422939
H 8.743464 -1.069652 -0.721707
H 9.362512 1.609152 0.696194
H 9.625707 0.000834 1.398595
H 11.785041 0.919420 0.450703
H 11.290390 -0.541808 -0.452139
H 11.025788 1.076088 -1.159764


