%chk=000196960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196960

0 1
O -1.404235 3.415849 -1.521052
O 5.394699 0.157294 -0.318726
O 2.056637 0.973839 2.770199
O -3.755693 -3.160118 -2.041179
O -2.772729 -1.561304 -0.825359
N 2.064764 1.208550 0.389539
N 0.780880 1.610956 0.273402
N 3.941461 0.472756 1.465024
C -2.232452 1.608420 -0.135107
C -3.619421 1.818777 -0.772618
C -2.244619 2.029700 1.348755
C -4.680206 1.021689 -0.003071
C -3.319661 1.249820 2.117774
C -4.705023 1.422064 1.478734
C -1.186294 2.415817 -0.879648
C 3.055154 0.897405 -0.702038
C 2.616868 -0.203358 -1.674417
C 2.097548 -1.468191 -0.982470
C 1.724921 -2.551060 -2.003949
C 1.010150 -3.739325 -1.345147
C 0.237875 1.882170 -0.869096
C 4.307128 0.459051 0.091398
C -0.394697 -3.392187 -0.837697
C 2.585914 0.895978 1.697917
C -1.404189 -3.249342 -1.983586
C -2.640520 -2.540444 -1.522690
H -1.978270 0.514803 -0.194980
H -3.871499 2.897967 -0.775714
H -3.601455 1.505622 -1.832358
H -1.251294 1.850349 1.807535
H -2.435893 3.116983 1.430549
H -5.674545 1.181135 -0.456907
H -4.459537 -0.063000 -0.093540
H -3.052171 0.175109 2.144824
H -3.342235 1.588196 3.170426
H -5.034899 2.473964 1.577327
H -5.449569 0.812895 2.022962
H 3.285095 1.840120 -1.266580
H 3.484224 -0.457175 -2.324593
H 1.839345 0.195652 -2.358147
H 2.857335 -1.862606 -0.279727
H 1.209454 -1.224172 -0.360903
H 1.081881 -2.121976 -2.797513
H 2.637537 -2.911566 -2.518757
H 1.617754 -4.116431 -0.497340
H 0.956958 -4.581091 -2.063632
H 0.679978 1.826225 -1.870623
H -0.359446 -2.448752 -0.247785
H -0.740915 -4.173445 -0.132037
H 4.569234 0.232427 2.230560
H -1.658313 -4.243214 -2.413655
H -0.958759 -2.669153 -2.824083
H -4.605756 -2.717672 -1.776000


%chk=000196960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196960

0 1
O -1.875445 1.886314 -2.025387
O 5.349592 0.291000 -0.000140
O 1.721437 0.480511 2.992998
O -3.383409 -3.037193 -3.356844
O -2.791810 -2.304780 -1.237217
N 1.852722 0.796487 0.608129
N 0.519524 1.060238 0.464121
N 3.745312 0.329475 1.745030
C -2.333809 1.603174 0.372009
C -3.689076 0.904498 0.083748
C -2.564715 3.074596 0.853027
C -4.610449 0.953888 1.324290
C -3.485652 3.109010 2.094067
C -4.834002 2.403394 1.817303
C -1.439498 1.631247 -0.859046
C 2.928550 0.745979 -0.432937
C 2.740472 -0.318519 -1.551233
C 2.162833 -1.663800 -1.061560
C 2.033386 -2.684466 -2.216502
C 1.264678 -3.973785 -1.828975
C 0.025671 1.382473 -0.714357
C 4.180826 0.437677 0.421354
C -0.233531 -3.768464 -1.489291
C 2.345250 0.527605 1.919698
C -1.079148 -3.328061 -2.705876
C -2.462655 -2.844459 -2.317341
H -1.800215 1.066947 1.179715
H -4.175346 1.413087 -0.771749
H -3.509757 -0.144132 -0.218917
H -1.594319 3.553561 1.087689
H -3.028531 3.648416 0.025543
H -5.581318 0.477763 1.084831
H -4.156328 0.356977 2.142292
H -2.975215 2.606568 2.941188
H -3.656708 4.160086 2.399256
H -5.388938 2.970859 1.041458
H -5.460877 2.406492 2.730241
H 3.056105 1.748237 -0.889025
H 3.741761 -0.468197 -2.000339
H 2.093910 0.087172 -2.350985
H 2.806874 -2.092868 -0.267131
H 1.170011 -1.489576 -0.606040
H 1.536972 -2.194167 -3.079789
H 3.046525 -2.962179 -2.569954
H 1.763298 -4.436385 -0.953287
H 1.352415 -4.705969 -2.657328
H 0.608788 1.482635 -1.644719
H -0.355791 -3.024565 -0.680911
H -0.645702 -4.716467 -1.093260
H 4.356157 0.125422 2.537353
H -1.176125 -4.134717 -3.453300
H -0.592408 -2.478811 -3.227370
H -4.263794 -2.654227 -3.090332


