%chk=000279697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279697

0 1
O -3.085086 2.254629 -0.682116
N -1.524120 0.001254 -0.364497
N -2.865369 -0.011346 -0.032908
N -4.950316 1.122688 0.042474
C 1.493020 0.262704 -0.320068
C 0.704366 -0.830344 -0.383533
C 2.899365 0.266525 -0.869848
C 1.052451 1.586071 0.245948
C 3.911942 0.845832 0.128502
C 2.075978 2.170135 1.230534
C 3.479518 2.233767 0.616489
C 1.150414 -2.144862 -0.978363
C 0.614898 -3.372388 -0.219440
C 0.138390 -3.003196 1.190540
C -1.001858 -1.977406 1.115593
C -0.692169 -0.877516 0.122772
C -3.563774 1.218643 -0.278930
H 3.221630 -0.754975 -1.165795
H 2.903621 0.866180 -1.804758
H 0.885439 2.288672 -0.600160
H 0.065549 1.521386 0.745952
H 4.013315 0.160253 0.992138
H 4.910799 0.901039 -0.342278
H 1.751758 3.180417 1.543508
H 2.096839 1.553931 2.149979
H 4.202936 2.620086 1.357549
H 3.489448 2.950997 -0.226523
H 0.815944 -2.182635 -2.036170
H 2.261499 -2.185470 -1.011787
H -0.220510 -3.826381 -0.786578
H 1.399740 -4.148708 -0.161143
H 0.983871 -2.582941 1.771384
H -0.196799 -3.904436 1.734893
H -1.174916 -1.532442 2.116185
H -1.938790 -2.496774 0.829561
H -3.216347 -0.627818 0.709757
H -5.511568 1.907004 -0.277205
H -5.428605 0.239325 -0.052859


%chk=000279697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279697

0 1
O -3.134588 2.339996 -0.544767
N -1.411118 0.133405 -0.206641
N -2.740497 0.122788 0.195721
N -4.899757 1.021677 0.226235
C 1.544041 0.282867 -0.330478
C 0.786494 -0.871595 -0.262904
C 2.987001 0.266244 -0.832408
C 1.075832 1.676681 0.064805
C 3.976098 0.956478 0.148653
C 2.070140 2.373191 1.036672
C 3.512435 2.390296 0.486511
C 1.413438 -2.236980 -0.620191
C 0.493866 -3.448775 -0.344721
C -0.194984 -3.267147 1.021367
C -1.201576 -2.103127 0.905484
C -0.646855 -0.899010 0.134850
C -3.553244 1.246399 -0.087095
H 3.339951 -0.752763 -1.060422
H 3.014404 0.830771 -1.790862
H 0.986380 2.293793 -0.854920
H 0.063218 1.654796 0.491505
H 4.039985 0.360828 1.082189
H 4.989737 0.969348 -0.298045
H 1.718266 3.404555 1.232540
H 2.059313 1.838913 2.009147
H 4.202442 2.857150 1.216457
H 3.546938 3.011101 -0.433083
H 1.712305 -2.239731 -1.687528
H 2.345411 -2.377548 -0.036792
H -0.282003 -3.535269 -1.132381
H 1.089932 -4.379932 -0.375812
H 0.568899 -3.039265 1.790678
H -0.719631 -4.185900 1.343865
H -1.531364 -1.774251 1.915666
H -2.109169 -2.482297 0.383090
H -3.137154 -0.659436 0.731641
H -5.530919 1.807507 0.092521
H -5.291163 0.106144 0.438250


