%chk=000211548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211548

0 1
O -2.407268 1.102073 0.423164
O 5.471518 -1.801327 1.633320
N -0.535290 4.741623 -0.294464
N -0.126378 1.061122 0.335740
N 1.054892 0.447072 0.178811
C -0.350522 3.317145 -0.711869
C -0.054653 2.537410 0.588817
C 0.440653 5.648418 -0.985108
C -1.952042 5.201702 -0.477651
C -1.417287 0.416002 0.245964
C -1.353079 -1.028889 -0.044078
C 1.071893 -0.862270 -0.065333
C 0.568625 6.962835 -0.213276
C -2.886366 4.464989 0.480591
C -0.142007 -1.639192 -0.181275
C -2.623761 -1.765625 -0.176320
C 2.392798 -1.520246 -0.219839
C 3.367691 -1.370831 0.764154
C -3.697528 -1.499755 0.690341
C -2.763733 -2.748699 -1.171856
C 2.640457 -2.307426 -1.362418
C 4.603762 -2.029201 0.589793
C 3.871369 -2.944623 -1.507831
C -4.886466 -2.223039 0.573431
C -3.957134 -3.465798 -1.284179
C 4.870130 -2.819262 -0.534390
C -5.018142 -3.208543 -0.410154
C 6.782192 -2.414044 1.571519
H 0.484031 3.182277 -1.430230
H -1.255206 2.898426 -1.207147
H 0.945768 2.809089 0.991371
H -0.810810 2.788049 1.371816
H 0.165860 5.851446 -2.042723
H 1.432500 5.142379 -1.001952
H -2.307060 5.080622 -1.524376
H -1.983784 6.292183 -0.252982
H -0.343550 7.566977 -0.275323
H 0.752942 6.772835 0.853344
H 1.398586 7.564369 -0.596902
H -3.911964 4.835849 0.392097
H -2.569113 4.594466 1.522583
H -2.912070 3.379164 0.291587
H -0.055496 -2.712375 -0.368686
H 3.202564 -0.756004 1.647826
H -3.607190 -0.713261 1.443075
H -1.948696 -2.946132 -1.865276
H 1.879863 -2.404028 -2.132224
H 4.064718 -3.551123 -2.393446
H -5.714652 -2.013444 1.249124
H -4.061382 -4.225507 -2.057015
H 5.820324 -3.324090 -0.664016
H -5.946117 -3.770180 -0.498615
H 7.237184 -2.061206 2.506714
H 6.692672 -3.503925 1.566313
H 7.334754 -2.043580 0.703458


%chk=000211548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211548

0 1
O -2.683684 1.041824 0.327540
O 5.690438 -0.778690 0.853328
N -0.396188 4.669453 -0.207183
N -0.355634 0.916970 0.434998
N 0.868000 0.315467 0.315952
C -0.390060 3.232186 -0.546493
C -0.309952 2.366816 0.742605
C 0.827144 5.411587 -0.601675
C -1.672430 5.360590 -0.517759
C -1.640431 0.315668 0.225683
C -1.590196 -1.124988 -0.092322
C 0.884450 -1.001626 0.005313
C 1.114607 6.631052 0.296879
C -2.850684 4.859248 0.340471
C -0.336762 -1.732199 -0.180658
C -2.843110 -1.894236 -0.307789
C 2.228662 -1.635272 -0.105236
C 3.364567 -0.962895 0.404013
C -4.068255 -1.520048 0.315824
C -2.836437 -3.056219 -1.134134
C 2.400125 -2.907702 -0.722303
C 4.648280 -1.544918 0.307839
C 3.683484 -3.480494 -0.811778
C -5.230729 -2.299810 0.139748
C -4.000870 -3.828694 -1.313491
C 4.820373 -2.815057 -0.299840
C -5.205679 -3.457548 -0.670739
C 7.044856 -1.332159 0.790682
H 0.472195 2.977256 -1.196234
H -1.310053 2.954010 -1.096893
H 0.634563 2.558317 1.273992
H -1.166764 2.611065 1.387658
H 0.783915 5.739285 -1.672009
H 1.679285 4.710937 -0.521838
H -1.933140 5.256634 -1.602535
H -1.527894 6.439859 -0.328891
H 0.317663 7.393183 0.228276
H 1.193336 6.313719 1.351404
H 2.063824 7.113426 -0.002921
H -3.775133 5.404952 0.073399
H -2.641087 5.028425 1.411913
H -3.041348 3.780768 0.193051
H -0.280711 -2.810364 -0.351634
H 3.254170 0.015677 0.877781
H -4.101221 -0.613523 0.923596
H -1.923335 -3.338847 -1.670619
H 1.548101 -3.443461 -1.151516
H 3.807209 -4.457579 -1.291778
H -6.160728 -1.997417 0.633748
H -3.973450 -4.710945 -1.962688
H 5.806205 -3.282121 -0.379212
H -6.112907 -4.055871 -0.810509
H 7.684991 -0.576122 1.268407
H 7.117295 -2.287084 1.347252
H 7.370133 -1.487590 -0.256676


