%chk=000188319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188319

0 1
I 2.760019 -2.744317 1.055444
O 1.239782 0.621791 1.369520
O 3.489133 -0.573788 -1.296409
O 3.471724 2.486363 -1.037572
O -1.339362 -2.450106 0.077436
O -4.491947 0.759580 -1.232381
N -0.782965 -0.180237 0.322479
N -2.875784 -0.803551 -0.585910
C 2.229289 -0.166645 -0.702605
C 1.453385 -1.327392 -0.044544
C 0.538753 -0.588878 0.963762
C 2.404243 0.851362 0.449356
C 2.405410 2.313567 -0.033714
C -1.656730 -1.234054 -0.049568
C -1.182018 1.155462 0.257662
C -2.399751 1.539623 -0.248820
C -3.349473 0.542784 -0.741156
H 1.549689 0.267915 -1.470664
H 0.300889 -1.197381 1.850785
H 0.908660 -1.976866 -0.740096
H 3.327933 0.606369 1.004246
H 2.522248 3.018719 0.810965
H 1.468608 2.550354 -0.569542
H 3.709781 0.083070 -2.008140
H -0.464850 1.865925 0.673861
H -3.515245 -1.548881 -0.881267
H -2.693912 2.588755 -0.281001
H 4.349991 2.527757 -0.578627


%chk=000188319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188319

0 1
I 2.755357 -2.685474 0.815477
O 1.180630 0.692198 1.257033
O 3.354818 -0.445141 -1.515222
O 3.821045 2.364600 -0.830412
O -1.419984 -2.461303 0.412244
O -4.653246 0.560904 -1.132622
N -0.856392 -0.185140 0.300978
N -3.010292 -0.911764 -0.355923
C 2.163702 -0.064438 -0.797270
C 1.395394 -1.246518 -0.182961
C 0.495229 -0.544640 0.872496
C 2.418537 0.836230 0.436089
C 2.649774 2.307937 0.077212
C -1.752718 -1.275191 0.137200
C -1.238014 1.126184 0.028613
C -2.483534 1.444276 -0.454684
C -3.481066 0.401552 -0.692208
H 1.451021 0.464097 -1.475612
H 0.316073 -1.172170 1.759264
H 0.831992 -1.865030 -0.892589
H 3.276476 0.431763 1.008850
H 2.801425 2.932220 0.977107
H 1.803364 2.712587 -0.503238
H 3.830148 0.405803 -1.727764
H -0.482157 1.878173 0.261004
H -3.673698 -1.682555 -0.488729
H -2.765616 2.477865 -0.656321
H 4.649232 2.490274 -0.304512


