%chk=000236312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236312

0 1
O -3.110216 -1.454299 -0.748285
O -1.702622 2.824669 0.222262
N -2.723453 0.789907 -0.258273
C -0.801636 -0.635483 -0.425869
C -0.311957 -1.699164 0.611796
C -0.347927 0.803402 -0.109344
C -2.332267 -0.563833 -0.502462
C 1.182574 -1.554567 0.814415
C -0.657481 -3.106279 0.094987
C -1.036725 -1.478107 1.955491
C -1.605397 1.644823 -0.013049
C -4.141738 1.279537 -0.242446
C 2.164258 -1.692981 -0.090623
C 3.604632 -1.497462 0.321765
C 4.202213 -0.185446 -0.240886
C 3.558308 1.039676 0.439774
C -4.772657 1.063471 -1.619028
C -4.920061 0.557374 0.858919
C 1.962443 -2.028251 -1.534666
C 5.724226 -0.188052 -0.051541
C 3.788181 2.334723 -0.350591
C 3.069332 3.520720 0.288191
H -0.428392 -0.934997 -1.434874
H 0.228142 0.866648 0.837107
H 0.332879 1.204147 -0.884369
H 1.452909 -1.314884 1.846055
H -0.121977 -3.346415 -0.834344
H -1.733315 -3.207330 -0.111742
H -0.388367 -3.871962 0.829780
H -0.669269 -2.171290 2.720827
H -2.115610 -1.654668 1.865965
H -0.899140 -0.462831 2.338815
H -4.093048 2.381455 -0.014416
H 3.709181 -1.507825 1.424788
H 4.207560 -2.360143 -0.027411
H 3.985263 -0.142394 -1.336823
H 3.950336 1.151974 1.467951
H 2.470143 0.869213 0.557332
H -4.217393 1.582883 -2.407591
H -5.803766 1.432209 -1.641091
H -4.801127 -0.004334 -1.884567
H -5.953702 0.916299 0.909317
H -4.959034 -0.527381 0.677587
H -4.467210 0.710162 1.844555
H 1.757471 -1.123352 -2.122948
H 2.843460 -2.507436 -1.980633
H 1.114706 -2.722247 -1.678293
H 6.170287 0.740072 -0.427372
H 6.003460 -0.275184 1.004089
H 6.196312 -1.017821 -0.587376
H 4.873507 2.547466 -0.416465
H 3.442191 2.207838 -1.394899
H 3.249993 4.444018 -0.273930
H 3.407046 3.693327 1.316376
H 1.983770 3.370007 0.323266


%chk=000236312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236312

0 1
O -3.290296 -1.577511 -0.767550
O -1.913360 2.789859 0.226869
N -2.898286 0.687898 -0.227037
C -0.951458 -0.700884 -0.476067
C -0.402380 -1.763686 0.563227
C -0.516668 0.760435 -0.196283
C -2.492877 -0.636401 -0.516083
C 1.116704 -1.596115 0.766258
C -0.728485 -3.209913 0.082963
C -1.092623 -1.540383 1.940031
C -1.802115 1.566180 -0.031060
C -4.312149 1.156473 -0.152776
C 2.145175 -1.584907 -0.132866
C 3.582751 -1.437171 0.362131
C 4.352800 -0.191457 -0.181571
C 3.681466 1.127865 0.281507
C -5.007618 1.019937 -1.525778
C -5.073616 0.427979 0.976744
C 2.008858 -1.717595 -1.642978
C 5.837038 -0.272138 0.248350
C 4.252877 2.411448 -0.364501
C 3.469697 3.678147 0.045098
H -0.626402 -1.017813 -1.482983
H 0.097974 0.857385 0.714704
H 0.075166 1.198308 -1.019256
H 1.406880 -1.490459 1.824116
H -0.236153 -3.445560 -0.876914
H -1.815693 -3.340812 -0.052233
H -0.367460 -3.939240 0.830471
H -0.688768 -2.252304 2.682732
H -2.182051 -1.709453 1.872763
H -0.919076 -0.519257 2.329268
H -4.221520 2.229418 0.102645
H 3.596027 -1.399609 1.470036
H 4.156311 -2.342089 0.065323
H 4.319546 -0.220282 -1.292182
H 3.765391 1.204033 1.387185
H 2.595820 1.075401 0.059930
H -4.456212 1.575183 -2.305212
H -6.027604 1.439714 -1.463186
H -5.082309 -0.038496 -1.825659
H -6.090524 0.850680 1.064065
H -5.160864 -0.649870 0.761165
H -4.563332 0.560273 1.947507
H 2.079456 -0.729546 -2.141667
H 2.835661 -2.331538 -2.047901
H 1.063110 -2.184995 -1.956699
H 6.433784 0.553161 -0.178843
H 5.928013 -0.220026 1.350951
H 6.295521 -1.223016 -0.082852
H 5.317286 2.535923 -0.084489
H 4.231478 2.302627 -1.468930
H 3.888957 4.585069 -0.428127
H 3.499652 3.824927 1.141351
H 2.405796 3.603805 -0.250504


