%chk=000207098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207098

0 1
S 4.206008 2.140795 -0.025339
S 5.193824 -0.643305 -0.260074
N 0.074339 -0.849383 0.023329
N 2.766526 -0.003356 0.631954
C 0.475891 0.589591 -0.113355
C 1.243134 -1.744277 -0.272397
C 1.604664 0.894862 0.891864
C 2.379682 -1.444046 0.724045
C -1.074717 -1.178009 -0.885775
C -2.309049 -0.406321 -0.482162
C 3.953590 0.384752 0.140818
C -2.754917 -0.431588 0.848169
C -3.029401 0.316237 -1.444030
C -3.912825 0.260000 1.210585
C -4.190050 1.003683 -1.076148
C -4.633429 0.977393 0.249408
H -0.410160 1.219944 0.131373
H 0.793098 0.862444 -1.143016
H 1.618856 -1.650101 -1.315137
H 0.917270 -2.799464 -0.137524
H 1.873121 1.971354 0.850473
H 1.250216 0.700732 1.934122
H 2.047397 -1.643202 1.769641
H 3.250153 -2.114481 0.526867
H -1.290565 -2.268535 -0.777558
H -0.836783 -1.012728 -1.960307
H -2.185345 -0.986459 1.594723
H -2.692479 0.343875 -2.478092
H -4.256206 0.238979 2.243674
H -4.749294 1.561095 -1.825848
H -5.537072 1.512910 0.533167
H 5.501322 2.104908 -0.435350


%chk=000207098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207098

0 1
S 4.404853 2.138391 0.287882
S 5.381793 -0.799688 0.107457
N 0.088081 -0.779138 -0.125860
N 2.786117 -0.031351 0.576268
C 0.539327 0.626036 -0.253064
C 1.216022 -1.715708 -0.347961
C 1.662084 0.922476 0.760160
C 2.342824 -1.446561 0.665720
C -1.092841 -1.085147 -0.970340
C -2.356650 -0.365014 -0.508992
C 4.093009 0.299228 0.340162
C -2.674461 -0.283479 0.870918
C -3.253238 0.193954 -1.451985
C -3.867202 0.340575 1.296965
C -4.451257 0.815754 -1.028725
C -4.762138 0.890619 0.348080
H -0.314786 1.294999 -0.046768
H 0.910433 0.850038 -1.285134
H 1.634253 -1.633296 -1.382451
H 0.854423 -2.751479 -0.209371
H 2.012449 1.958574 0.637382
H 1.268756 0.803379 1.788422
H 1.969829 -1.628080 1.692511
H 3.214776 -2.091951 0.474636
H -1.254415 -2.180427 -0.908882
H -0.908151 -0.851581 -2.049466
H -1.969553 -0.704160 1.596838
H -3.013932 0.144595 -2.521935
H -4.101678 0.397130 2.366250
H -5.135443 1.244181 -1.769929
H -5.688242 1.374122 0.678790
H 5.751758 1.961308 0.044523


