%chk=000268091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268091

0 1
O 5.960097 -3.527477 0.239874
O 6.103411 0.723786 -1.968353
O -5.942340 -2.644159 0.124076
O -6.547783 -1.387434 -1.529138
N -0.402526 1.645092 0.229485
N 3.709010 -0.659909 -0.449947
N 1.278074 1.244717 -1.282041
N 0.458396 0.274446 2.133693
N 2.599663 -0.791430 1.626005
N -5.838509 -1.646500 -0.570010
C -1.674179 2.124500 0.827512
C 0.508126 0.790026 0.861853
C 1.560721 0.550608 -0.092290
C -2.782718 1.157004 0.428583
C 2.643853 -0.288771 0.332271
C -1.943015 3.576496 0.442930
C 0.115049 1.875282 -1.084402
C 4.883169 -1.355158 0.141086
C 3.855775 -0.214151 -1.855553
C -2.934295 -0.016703 1.186334
C -3.626371 1.399631 -0.664234
C 4.695138 -2.881682 0.067730
C 4.709060 1.060888 -1.963548
C 1.540329 -0.494794 2.435148
C -3.929811 -0.937795 0.865560
C -4.628186 0.486080 -0.994518
C -4.775136 -0.676478 -0.224158
H -1.542776 2.075441 1.954094
H -1.121815 4.232222 0.767889
H -2.858331 3.942315 0.929944
H -2.068039 3.726324 -0.635641
H -0.400125 2.498449 -1.800558
H 5.026446 -1.046222 1.205913
H 5.809162 -1.033264 -0.393420
H 4.326957 -1.040371 -2.436122
H 2.852325 -0.046838 -2.319613
H -2.257815 -0.217710 2.025694
H -3.508030 2.301601 -1.265152
H 4.100141 -3.261274 0.923559
H 4.232756 -3.209902 -0.878085
H 4.455108 1.642990 -2.865686
H 4.609792 1.711779 -1.071584
H 1.572386 -0.936410 3.446875
H -4.057916 -1.856916 1.448837
H -5.296302 0.664634 -1.844369
H 6.558013 -3.327309 -0.506417
H 6.374662 0.385243 -2.843205


%chk=000268091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268091

0 1
O 5.856731 -3.623104 0.671869
O 6.040342 1.062096 -1.804886
O -5.943285 -2.762969 -0.087049
O -6.911434 -1.149344 -1.376355
N -0.365791 1.568461 0.155747
N 3.808496 -0.620934 -0.445254
N 1.282311 1.139353 -1.376345
N 0.541437 0.370380 2.113722
N 2.705764 -0.678370 1.639143
N -5.978391 -1.574766 -0.590804
C -1.626181 2.057057 0.785024
C 0.590123 0.788284 0.815778
C 1.612820 0.529648 -0.142086
C -2.796507 1.135435 0.402337
C 2.726403 -0.255854 0.321250
C -1.837456 3.552812 0.492247
C 0.098998 1.739157 -1.154100
C 4.931986 -1.364115 0.172681
C 3.901213 -0.264929 -1.877092
C -2.811915 -0.182817 0.934741
C -3.848209 1.546349 -0.453609
C 4.718154 -2.894364 0.097985
C 4.604218 1.083944 -2.136779
C 1.654436 -0.354376 2.440255
C -3.848138 -1.078281 0.615736
C -4.895190 0.662952 -0.786338
C -4.877657 -0.639695 -0.246654
H -1.444680 1.927281 1.869677
H -0.969072 4.129919 0.851550
H -2.736661 3.918820 1.016979
H -1.961422 3.762411 -0.584957
H -0.451992 2.302831 -1.902478
H 5.015482 -1.073439 1.231281
H 5.858516 -1.064853 -0.351370
H 4.442332 -1.078252 -2.398731
H 2.885322 -0.198508 -2.299886
H -2.004311 -0.495745 1.606886
H -3.863448 2.561045 -0.862864
H 3.856768 -3.177642 0.722055
H 4.524561 -3.212093 -0.950425
H 4.443014 1.376996 -3.195728
H 4.168893 1.862124 -1.491951
H 1.706434 -0.725193 3.468414
H -3.878367 -2.094116 1.017918
H -5.715739 0.960256 -1.444539
H 6.667586 -3.442576 0.131696
H 6.525103 0.559620 -2.507785


