%chk=000196259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196259

0 1
O -2.062742 1.763873 0.405399
O -4.453388 0.793824 -0.440991
N 1.712503 -1.303233 1.282219
N 2.818928 -1.071829 -1.415678
C 1.289121 -2.254500 0.204146
C 3.499082 -0.344789 -0.302269
C 1.416943 -1.482350 -1.131117
C 3.125538 -0.843594 1.124154
C -0.133591 -2.806531 0.473274
C 3.382277 1.195832 -0.480395
C -1.300083 -1.878731 0.255242
C 1.998673 1.738435 -0.287156
C -1.187971 -0.517534 0.561658
C -2.519017 -2.362117 -0.242861
C 1.126663 1.813607 -1.389770
C 1.536387 2.091359 0.992174
C -2.222639 0.373546 0.270631
C -0.695332 2.066136 0.138938
C -0.242239 1.970773 -1.183748
C 0.168396 2.259403 1.221918
C -3.599675 -1.495469 -0.450824
C -3.455067 -0.122730 -0.214960
H 1.969545 -3.149652 0.164673
H 4.601906 -0.558303 -0.421676
H 1.045733 -2.092994 -1.978232
H 0.780311 -0.567340 -1.098087
H 3.852869 -1.633799 1.413939
H 3.258999 -0.006993 1.847746
H 1.607432 -1.743119 2.203278
H 3.369009 -1.908752 -1.645329
H -0.184973 -3.173018 1.522704
H -0.261092 -3.710418 -0.160072
H 3.745008 1.441582 -1.503267
H 4.093528 1.684390 0.214653
H -0.250354 -0.153113 1.006808
H -2.638609 -3.417790 -0.475702
H 1.513063 1.666416 -2.398340
H 2.231814 2.165088 1.825086
H -0.953989 1.944235 -2.005324
H -0.227664 2.448534 2.215983
H -4.543629 -1.887508 -0.819058
H -5.280573 0.350474 -0.753465


%chk=000196259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196259

0 1
O -2.108761 1.817368 0.244074
O -4.630599 0.795781 -0.257871
N 1.688669 -1.264454 1.182516
N 2.933357 -1.054273 -1.383291
C 1.303775 -2.260507 0.147411
C 3.557400 -0.323834 -0.240874
C 1.545436 -1.574550 -1.222893
C 3.127527 -0.915912 1.139600
C -0.133213 -2.818535 0.371169
C 3.457565 1.245505 -0.358482
C -1.335816 -1.884426 0.200347
C 2.057949 1.816652 -0.249861
C -1.202942 -0.489450 0.378982
C -2.618255 -2.391662 -0.123296
C 1.214489 1.850491 -1.391556
C 1.507021 2.185525 1.004325
C -2.284155 0.398222 0.188711
C -0.719878 2.140815 0.048159
C -0.179229 2.006152 -1.248163
C 0.111506 2.346035 1.165731
C -3.723434 -1.517446 -0.249758
C -3.573537 -0.116919 -0.102543
H 1.988378 -3.152640 0.198013
H 4.646980 -0.517922 -0.323544
H 1.359674 -2.291653 -2.044700
H 0.831258 -0.745266 -1.333432
H 3.766830 -1.819775 1.322412
H 3.340898 -0.187969 1.944756
H 1.390604 -1.547422 2.126318
H 3.563338 -1.784120 -1.735847
H -0.153580 -3.251711 1.396976
H -0.258969 -3.682170 -0.311915
H 3.903086 1.502575 -1.337693
H 4.113644 1.669301 0.428774
H -0.215967 -0.111676 0.655783
H -2.764805 -3.467207 -0.280028
H 1.641351 1.640856 -2.378690
H 2.157351 2.246956 1.885357
H -0.854867 1.905943 -2.103804
H -0.335729 2.497440 2.153221
H -4.714171 -1.925040 -0.493692
H -5.469080 0.312222 -0.464398


