%chk=000246455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246455

0 1
O 3.714201 -1.003007 0.504257
O -8.281767 0.003316 0.370545
N 7.005253 0.468131 -0.055769
N -1.843226 1.233412 -2.456291
C 5.994624 -0.609551 0.172729
C 7.575732 0.959794 1.243330
C 8.079313 0.042638 -1.011865
C 4.620410 0.073206 0.095316
C 8.187564 2.347909 1.050472
C 7.516216 -0.039233 -2.430968
C 2.366621 -0.758211 0.492640
C -0.415233 -0.554433 0.559755
C 1.600038 -1.881130 0.880060
C 1.762781 0.458541 0.150301
C 0.218975 -1.766275 0.915550
C 0.368880 0.546635 0.184760
C -1.877360 -0.481427 0.621340
C -2.690239 0.094428 -0.287492
C -4.161495 0.112491 -0.126580
C -4.862407 -1.094329 0.071909
C -4.862347 1.325737 -0.170890
C -6.925134 0.144746 0.192889
C -6.240991 -1.089834 0.233828
C -6.249895 1.355189 -0.008327
C -2.209944 0.724200 -1.484479
C -9.100087 1.197739 0.328149
H 6.054904 -1.404953 -0.601868
H 6.101003 -1.135731 1.145750
H 6.748163 1.028517 1.984882
H 8.329474 0.264674 1.672385
H 8.885498 0.811294 -0.984095
H 8.551072 -0.922687 -0.728017
H 4.366697 0.393469 -0.928068
H 4.516190 0.911537 0.802654
H 9.090563 2.317513 0.430090
H 7.479716 3.022088 0.548529
H 8.455411 2.796382 2.012552
H 8.315889 -0.194435 -3.162467
H 6.991373 0.888368 -2.698086
H 6.795357 -0.856756 -2.544447
H 2.106346 -2.807903 1.139747
H 2.349327 1.323122 -0.144185
H -0.385079 -2.624537 1.212193
H -0.108358 1.492826 -0.077301
H -2.319700 -0.960433 1.505291
H -4.317573 -2.039063 0.090188
H -4.322170 2.260166 -0.332444
H -6.803749 -2.008339 0.385910
H -6.777724 2.302228 -0.043182
H -8.822991 1.877289 1.138933
H -9.023917 1.676342 -0.652440
H -10.105304 0.785038 0.486824


%chk=000246455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246455

0 1
O 3.790774 -1.170275 0.495206
O -8.469599 -0.200859 0.239347
N 7.146056 0.366629 -0.084477
N -1.968447 2.909642 -0.721758
C 6.145347 -0.676388 0.247848
C 7.512510 1.208014 1.088079
C 8.319371 -0.149111 -0.838381
C 4.730314 -0.115043 0.056444
C 7.990444 2.618338 0.693738
C 7.988757 -0.477290 -2.306667
C 2.422567 -0.909873 0.414072
C -0.419532 -0.571099 0.330658
C 1.568717 -1.960199 0.841342
C 1.859364 0.305614 -0.057650
C 0.180144 -1.786994 0.795963
C 0.462733 0.466974 -0.096200
C -1.879780 -0.509759 0.332589
C -2.769810 0.502207 0.000453
C -4.251430 0.334210 0.047742
C -4.867556 -0.952765 0.087730
C -5.107020 1.468494 0.049772
C -7.094043 0.054881 0.173135
C -6.260726 -1.093884 0.154196
C -6.510169 1.343688 0.114388
C -2.308471 1.808347 -0.393494
C -9.372928 0.953663 0.247030
H 6.271181 -1.545374 -0.421426
H 6.251698 -1.056493 1.289831
H 6.612331 1.307331 1.723754
H 8.288284 0.706455 1.720306
H 9.099114 0.633505 -0.821039
H 8.762717 -1.048273 -0.340090
H 4.558262 0.132700 -1.008464
H 4.577585 0.796968 0.667753
H 8.911167 2.587905 0.083851
H 7.210702 3.132706 0.105484
H 8.208734 3.218032 1.596984
H 8.888599 -0.848119 -2.832107
H 7.622094 0.425469 -2.825424
H 7.209861 -1.257282 -2.388671
H 2.018419 -2.890941 1.199632
H 2.497671 1.126258 -0.397027
H -0.469460 -2.606221 1.128428
H 0.062965 1.413849 -0.465261
H -2.348223 -1.442551 0.675028
H -4.257413 -1.860683 0.038589
H -4.670433 2.472559 0.007969
H -6.731133 -2.081495 0.176922
H -7.126802 2.247185 0.118032
H -9.191905 1.598753 1.128513
H -9.268093 1.551236 -0.679126
H -10.384606 0.526058 0.300951


