%chk=000192358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192358

0 1
O -3.180727 -0.787906 -2.040106
O -1.107731 -2.312792 0.260192
N 0.413576 -0.042024 -0.866287
N 2.999785 1.157515 -0.344861
C -3.881521 -2.276480 -0.216861
C -5.406229 -1.990805 -0.210830
C -4.102943 -3.393196 -1.271503
C -2.975957 -1.113554 -0.651845
C -5.625030 -3.123356 -1.240452
C -1.474238 -1.529401 -0.582696
C -3.182881 0.118869 0.211344
C -0.546746 -0.907550 -1.616109
C 0.956393 1.041650 -1.749999
C 1.542541 -0.852455 -0.300085
C 1.864212 1.961945 -0.908452
C 2.456958 0.065983 0.531088
C -2.971039 0.040665 1.596269
C -3.577160 1.332364 -0.365876
C 3.930774 2.049895 0.425103
C -3.175954 1.166212 2.397460
C -3.782248 2.455901 0.440379
C -3.586675 2.373769 1.822184
C 5.180289 1.299961 0.823463
C 5.672467 1.406399 2.132372
C 5.871803 0.521503 -0.117737
C 6.849427 0.743105 2.492904
C 7.044617 -0.141664 0.248808
C 7.537348 -0.030740 1.553862
H -3.510573 -2.673750 0.751688
H -5.694346 -0.990253 -0.550233
H -5.886090 -2.154769 0.760639
H -3.804408 -4.391723 -0.934088
H -3.622285 -3.211176 -2.240183
H -6.226399 -3.961568 -0.870970
H -6.054525 -2.802529 -2.194591
H -1.133890 -0.290814 -2.340050
H -0.073292 -1.717828 -2.212984
H -4.134773 -0.855642 -2.266859
H 0.103168 1.633303 -2.145539
H 1.525894 0.646842 -2.619242
H 2.138669 -1.369192 -1.082594
H 1.105161 -1.638686 0.359509
H 1.256899 2.463526 -0.122925
H 2.285755 2.753750 -1.562992
H 3.315049 -0.525389 0.919839
H 1.898298 0.455709 1.409780
H -2.631849 -0.894214 2.045201
H -3.707816 1.400645 -1.446238
H 4.228601 2.891819 -0.244598
H 3.447860 2.513534 1.313999
H -3.010585 1.103293 3.471706
H -4.090383 3.397074 -0.011018
H -3.747322 3.248616 2.448942
H 5.142758 2.002833 2.871635
H 5.476346 0.430762 -1.130629
H 7.229055 0.829516 3.509253
H 7.576735 -0.746435 -0.483243
H 8.452177 -0.546266 1.836554


%chk=000192358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192358

0 1
O -2.765853 -0.410855 -2.007002
O -1.386622 -3.005445 0.066530
N 0.418201 -0.783334 -1.242907
N 2.544806 0.977877 -0.457674
C -3.999239 -1.944596 -0.489474
C -5.395621 -1.229113 -0.502404
C -4.501827 -2.889242 -1.635615
C -2.710188 -1.103810 -0.707108
C -5.969824 -2.472997 -1.269751
C -1.500420 -2.084265 -0.788126
C -2.516436 -0.104350 0.454102
C -0.422468 -1.836751 -1.846199
C 0.807356 0.342716 -2.111898
C 1.512339 -1.276366 -0.384402
C 1.404797 1.478922 -1.263522
C 2.104333 -0.122000 0.438468
C -2.441372 -0.567745 1.793602
C -2.427481 1.286919 0.204757
C 3.243109 2.061648 0.271794
C -2.291582 0.346273 2.859080
C -2.289236 2.201675 1.272914
C -2.223679 1.736560 2.605864
C 4.614462 1.644148 0.797155
C 5.092003 2.135765 2.036762
C 5.451147 0.794294 0.029865
C 6.384577 1.795658 2.499181
C 6.740301 0.448753 0.490871
C 7.213992 0.950790 1.726623
H -3.871654 -2.518039 0.443968
H -5.415198 -0.320783 -1.138926
H -5.836553 -0.969769 0.473165
H -4.235702 -3.955285 -1.556155
H -4.203752 -2.511497 -2.629829
H -6.443557 -3.193816 -0.580723
H -6.660515 -2.272844 -2.104884
H -0.871600 -1.472204 -2.782079
H 0.130964 -2.781642 -2.035999
H -3.628236 0.076541 -2.053490
H -0.094454 0.708075 -2.635004
H 1.560818 0.028886 -2.876810
H 2.323372 -1.743263 -0.996924
H 1.111954 -2.048812 0.297096
H 0.595312 1.898134 -0.613907
H 1.766880 2.283728 -1.931411
H 2.977178 -0.484218 1.010158
H 1.333177 0.236245 1.166034
H -2.469096 -1.643526 1.997840
H -2.437468 1.649265 -0.828386
H 3.372459 2.901041 -0.442108
H 2.629789 2.459913 1.120578
H -2.228481 -0.026738 3.887715
H -2.226995 3.275907 1.063183
H -2.115497 2.445124 3.434823
H 4.448816 2.784572 2.645253
H 5.064685 0.404023 -0.918346
H 6.739874 2.182906 3.461143
H 7.376388 -0.211024 -0.110827
H 8.214517 0.682770 2.084867


