%chk=000186027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186027

0 1
O 1.477709 1.478608 2.116236
N 3.333575 -0.867400 0.173531
N -0.644107 1.111917 0.326371
C 2.684540 0.467563 0.373001
C 1.499049 0.241779 1.359961
C 0.143692 0.025327 0.761466
C 2.287101 1.215559 -0.899987
C -0.554691 -1.157969 0.572189
C -1.864073 0.608716 -0.151909
C -1.825523 -0.821920 -0.010383
C 4.790146 -0.719948 -0.121840
C 2.677463 -1.704725 -0.870903
C -2.982846 1.276658 -0.690268
C -2.938352 -1.579380 -0.424481
C -4.054066 0.495643 -1.084547
C -4.033127 -0.918876 -0.953585
H 3.413159 1.117920 0.942053
H 1.745978 -0.596270 2.059476
H 1.923155 2.221244 -0.659346
H 3.142011 1.329968 -1.575393
H 1.494744 0.703120 -1.458987
H -0.366652 2.074489 0.383553
H -0.228482 -2.148445 0.815588
H 5.245006 -1.722105 -0.182516
H 5.277984 -0.195743 0.715754
H 5.020269 -0.181158 -1.052467
H 3.052780 -2.736453 -0.771872
H 2.849119 -1.372918 -1.905300
H 1.588862 -1.734501 -0.701274
H 0.908130 1.381041 2.905224
H -2.994601 2.356553 -0.787742
H -2.922872 -2.661831 -0.323102
H -4.941471 0.964985 -1.507086
H -4.904708 -1.482449 -1.280114


%chk=000186027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186027

0 1
O 1.467472 1.662573 2.117342
N 3.157586 -0.875973 -0.030011
N -0.573564 1.010422 0.163797
C 2.733034 0.468510 0.451011
C 1.518158 0.341268 1.426777
C 0.164807 0.026855 0.848649
C 2.533568 1.539162 -0.650849
C -0.581925 -1.153850 0.872655
C -1.794113 0.475318 -0.257711
C -1.823412 -0.902926 0.170665
C 4.620854 -1.017727 -0.166845
C 2.445049 -1.404825 -1.212810
C -2.863094 1.070770 -0.963039
C -2.964365 -1.692439 -0.135372
C -3.981597 0.262309 -1.250864
C -4.030963 -1.104374 -0.842242
H 3.544649 0.825919 1.115047
H 1.784054 -0.466514 2.135674
H 2.278113 2.508053 -0.185977
H 3.466582 1.674789 -1.227957
H 1.733726 1.258996 -1.358367
H -0.266124 1.976713 0.069457
H -0.263753 -2.089867 1.329442
H 4.868448 -2.078491 -0.357683
H 5.119608 -0.718053 0.771946
H 5.060717 -0.416294 -1.002458
H 2.686059 -2.478271 -1.325355
H 2.722611 -0.895140 -2.167990
H 1.355608 -1.318045 -1.076232
H 0.770266 1.614686 2.820800
H -2.829621 2.119102 -1.280362
H -3.013900 -2.742134 0.175031
H -4.828513 0.689710 -1.799342
H -4.917126 -1.701234 -1.085525


