%chk=000208428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208428

0 1
O -3.354228 -0.006986 -0.387873
O 0.746622 -2.071179 -0.668570
N 0.699797 0.179702 -0.146098
N -1.337255 -1.061799 -0.519697
N -2.117717 2.582678 0.238568
C -0.031379 1.368936 0.083886
C -1.399960 1.338215 0.004220
C -2.147886 0.112607 -0.299219
C 0.075663 -1.082781 -0.457339
C 2.160172 0.190030 -0.067641
C -2.022923 -2.371806 -0.765946
C 0.759189 2.589377 0.400439
C -2.892693 2.980197 -0.977629
C -3.017370 2.456457 1.427026
C 2.781271 -0.093021 1.157226
C 2.904702 0.480654 -1.219822
C -2.427172 -3.009940 0.535967
C 4.177058 -0.074186 1.222660
C 4.299329 0.494442 -1.132492
C 4.934292 0.221524 0.083986
C -2.081350 -4.248950 0.874368
H -2.933586 -2.173687 -1.385345
H -1.343684 -3.025959 -1.362622
H 1.360245 2.469388 1.314464
H 0.095030 3.462225 0.565648
H 1.445579 2.862841 -0.415179
H -2.206362 3.065675 -1.833506
H -3.699500 2.277836 -1.249197
H -3.337455 3.971294 -0.801303
H -2.421277 2.163100 2.304198
H -3.462505 3.441165 1.635485
H -3.832847 1.723627 1.300990
H 2.187462 -0.338974 2.036546
H 2.405796 0.676090 -2.167964
H -3.046004 -2.377612 1.176878
H 4.675873 -0.297814 2.165717
H 4.893247 0.712859 -2.020013
H 6.021982 0.231418 0.142847
H -2.391525 -4.716935 1.798315
H -1.460331 -4.890812 0.264022


%chk=000208428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208428

0 1
O -3.412802 -0.026135 -0.399126
O 0.770084 -2.136853 -0.613430
N 0.683711 0.161048 -0.136027
N -1.324975 -1.079777 -0.498454
N -2.191726 2.537017 0.213828
C -0.051368 1.344202 0.079467
C -1.438439 1.329251 -0.004121
C -2.148798 0.076857 -0.306866
C 0.080999 -1.097605 -0.427683
C 2.142616 0.165334 -0.069306
C -2.010895 -2.381464 -0.766412
C 0.716188 2.599780 0.405556
C -2.871552 3.061467 -0.997299
C -3.067981 2.511977 1.412628
C 2.785958 -0.197963 1.133059
C 2.891424 0.527069 -1.209506
C -2.448198 -3.060167 0.518676
C 4.196813 -0.187372 1.196906
C 4.302305 0.537548 -1.140396
C 4.956198 0.183411 0.062593
C -1.949366 -4.242876 0.954012
H -2.890624 -2.145567 -1.390194
H -1.303808 -3.015082 -1.323429
H 1.358389 2.459835 1.293685
H -0.018850 3.396953 0.592335
H 1.379708 2.897215 -0.426570
H -2.143727 3.140312 -1.823893
H -3.719396 2.422654 -1.327326
H -3.255691 4.075578 -0.780473
H -2.479614 2.197496 2.292450
H -3.443576 3.535255 1.599364
H -3.935424 1.827153 1.298532
H 2.186918 -0.498663 1.998930
H 2.373593 0.781573 -2.140483
H -3.226551 -2.536220 1.090448
H 4.700962 -0.473266 2.126212
H 4.887792 0.813464 -2.023983
H 6.050447 0.188285 0.113320
H -2.306654 -4.708764 1.879669
H -1.165789 -4.773065 0.399307


