%chk=000194988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194988

0 1
O -1.725427 -0.853984 2.072984
O -0.823769 1.346141 -1.692663
O -4.325589 -1.155905 -1.836760
O 6.296670 -0.483209 -0.339834
O -5.432063 -2.244632 -0.223370
N 0.277844 1.046388 0.276800
N -2.514370 -0.299320 0.000191
N -0.049901 4.011604 -2.033596
C -0.062407 -0.393337 0.341331
C 0.915952 -1.159907 1.248602
C -1.497480 -0.532800 0.919796
C 2.349100 -0.966808 0.847322
C -3.930558 -0.384880 0.403160
C 3.230741 -0.280680 1.692897
C 2.816761 -1.482855 -0.377408
C -0.104458 1.815517 -0.819483
C -4.634557 0.967128 0.320675
C 4.568669 -0.095583 1.332405
C 4.141722 -1.311099 -0.760615
C 0.397505 3.258779 -0.842716
C -4.651259 -1.375868 -0.520691
C 5.003951 -0.614957 0.106724
H -0.036688 -0.822860 -0.700732
H 0.654140 -2.242279 1.225683
H 0.745640 -0.874379 2.312372
H 0.884762 1.402625 1.009510
H -3.991921 -0.794856 1.459165
H -2.319521 0.072677 -0.944090
H 2.880607 0.108587 2.649227
H 2.134468 -2.025158 -1.033059
H -4.605455 1.389189 -0.693801
H -4.160508 1.696660 0.991763
H -5.688880 0.890822 0.618522
H 5.249158 0.431822 1.992682
H 4.524889 -1.700563 -1.702003
H 1.513184 3.279915 -0.808364
H 0.052388 3.802111 0.069279
H 0.285645 3.560506 -2.883676
H -1.067292 4.010154 -2.091463
H -4.777272 -1.790659 -2.456348
H 6.868979 -0.004649 0.308582


%chk=000194988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194988

0 1
O -1.815317 -0.905400 2.104068
O -0.916701 1.096761 -1.891925
O -4.108839 -0.941360 -2.111091
O 6.416926 -0.401197 -0.208708
O -6.031300 -1.202038 -0.834656
N 0.224862 0.971411 0.125139
N -2.525061 -0.428497 -0.064703
N -0.248801 3.884818 -2.190699
C -0.099910 -0.454435 0.360347
C 0.901202 -1.090246 1.354289
C -1.556697 -0.615053 0.892617
C 2.358013 -0.898254 0.958770
C -3.945540 -0.533128 0.287041
C 3.240341 -0.147044 1.773175
C 2.878067 -1.467775 -0.235697
C -0.144498 1.629569 -1.025381
C -4.504856 0.777200 0.912721
C 4.595881 0.039930 1.416001
C 4.223625 -1.293726 -0.608608
C 0.464277 3.040217 -1.231718
C -4.812638 -0.936474 -0.901572
C 5.084766 -0.535462 0.220157
H -0.043067 -0.955525 -0.625785
H 0.649866 -2.164853 1.421852
H 0.703965 -0.677101 2.360183
H 0.854847 1.428865 0.789058
H -4.041895 -1.328578 1.051002
H -2.239023 -0.108567 -1.006089
H 2.872741 0.284837 2.712489
H 2.222189 -2.063298 -0.882970
H -4.408963 1.619994 0.205811
H -3.930542 1.004552 1.825680
H -5.567781 0.649420 1.178095
H 5.261478 0.621230 2.067511
H 4.626245 -1.735650 -1.524776
H 1.506289 2.900607 -1.582080
H 0.530256 3.564129 -0.258702
H -0.327179 3.442557 -3.113662
H -1.174724 4.178117 -1.860037
H -4.724737 -1.181249 -2.855178
H 6.945629 0.130095 0.437032


