%chk=000181939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181939

0 1
O -3.849894 2.603756 0.300149
O -5.630564 0.488840 -0.599291
O 5.472127 2.286810 -0.281216
O 6.319002 -0.188698 0.509071
N 0.432000 -1.727735 -0.129002
C -0.066817 -0.381028 0.317760
C 0.788796 0.649565 -0.457434
C -0.513947 -2.826752 0.234678
C -1.547897 -0.190225 0.046868
C 1.803107 -1.988543 0.416468
C -1.794864 -2.620340 -0.589734
C -2.370503 -1.251813 -0.368226
C 2.251911 0.442713 -0.194199
C 2.731223 -0.816085 0.207921
C -2.106720 1.077387 0.264540
C -3.739368 -1.034261 -0.590323
C 3.144851 1.515342 -0.372475
C 4.102750 -1.014771 0.442036
C -3.471342 1.305461 0.045840
C -4.287470 0.233352 -0.390050
C 4.501362 1.313520 -0.142025
C 4.988778 0.046659 0.268324
C -5.245193 2.948580 0.105913
H 0.090604 -0.229299 1.422308
H 0.475183 1.678494 -0.198116
H 0.597742 0.533008 -1.548895
H -0.754303 -2.863674 1.319012
H -0.049066 -3.800205 -0.031434
H 2.200172 -2.872873 -0.138603
H 1.799850 -2.256830 1.498782
H -2.528153 -3.412127 -0.345202
H -1.558836 -2.734388 -1.672515
H -1.493494 1.911518 0.607860
H -4.372627 -1.854038 -0.919375
H 2.775327 2.486815 -0.689023
H 4.491924 -1.983192 0.753366
H -6.099394 -0.323705 -0.914181
H 5.083355 3.142197 -0.584450
H 6.856268 0.637197 0.344996
H -5.874979 2.359158 0.780215
H -5.531320 2.785565 -0.938472
H -5.252079 4.012146 0.367535


%chk=000181939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181939

0 1
O -3.951937 2.596486 0.346139
O -5.720192 0.416628 -0.690459
O 5.604015 2.243991 -0.375463
O 6.429166 -0.203035 0.430268
N 0.440753 -1.717088 -0.053867
C -0.068685 -0.376155 0.341783
C 0.793092 0.676995 -0.401778
C -0.497769 -2.824760 0.220353
C -1.561749 -0.206753 0.048355
C 1.784156 -1.968131 0.508089
C -1.753759 -2.652514 -0.649192
C -2.362703 -1.278129 -0.427211
C 2.279509 0.444495 -0.176289
C 2.754027 -0.824045 0.244263
C -2.172673 1.044575 0.286002
C -3.736006 -1.045229 -0.663439
C 3.210400 1.494335 -0.391751
C 4.140823 -1.030544 0.449516
C -3.544886 1.287426 0.049789
C -4.339478 0.211610 -0.443718
C 4.582581 1.277681 -0.192558
C 5.058465 0.009094 0.232412
C -5.345303 3.035501 0.160004
H 0.079291 -0.221411 1.445666
H 0.517887 1.696477 -0.071854
H 0.549135 0.604607 -1.479696
H -0.787071 -2.875743 1.302021
H 0.011798 -3.774209 -0.029664
H 2.178558 -2.899015 0.056969
H 1.733662 -2.147329 1.617125
H -2.491351 -3.444114 -0.413831
H -1.460566 -2.776513 -1.710119
H -1.595017 1.888981 0.676557
H -4.360708 -1.875264 -1.025369
H 2.848206 2.479955 -0.714655
H 4.525976 -2.002969 0.774833
H -6.124343 -0.419871 -1.029609
H 5.239797 3.107940 -0.682362
H 6.911633 0.640453 0.223903
H -6.037655 2.453820 0.791128
H -5.656760 2.947398 -0.894218
H -5.336817 4.091874 0.471329


