%chk=000262553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262553

0 1
S 0.933314 -1.065278 0.681314
O -4.433755 1.240999 1.048833
O -0.739633 4.005354 -1.740508
N -1.553181 0.125380 0.752603
N 0.038192 1.311707 -0.395736
N -3.810003 2.947797 -0.317302
N -2.769066 3.797772 -0.768794
C -2.157776 1.284925 0.270514
C -2.236779 -0.947134 1.505095
C -0.223669 0.176161 0.315897
C -1.154627 2.004852 -0.425332
C -2.837068 -1.968384 0.568547
C -3.525420 1.769925 0.430934
C 2.525279 -0.242463 0.327750
C 3.585378 -1.332267 0.417011
C -1.450555 3.291133 -1.072932
C 4.949944 -0.735578 0.176035
C -2.103087 -3.099621 0.187130
C -4.142181 -1.782366 0.089920
C -2.676927 -4.042562 -0.670781
C -4.709719 -2.728562 -0.766691
C 5.416216 -0.555024 -1.134930
C 5.755050 -0.354758 1.259458
C -3.978676 -3.858849 -1.147827
C 6.679798 -0.001626 -1.357049
C 7.018579 0.197535 1.030879
C 7.483599 0.374567 -0.275877
H -3.041927 -0.478354 2.133967
H -1.513665 -1.418149 2.214057
H 2.703217 0.575324 1.052911
H 2.499212 0.232913 -0.676386
H 3.390458 -2.137212 -0.325770
H 3.559291 -1.835607 1.407698
H -4.640188 3.483871 -0.010485
H -3.125000 4.506087 -1.435668
H -1.087141 -3.248306 0.550962
H -4.713520 -0.896275 0.386550
H -2.106438 -4.920868 -0.969179
H -5.723368 -2.583609 -1.138300
H 4.793726 -0.842000 -1.980542
H 5.398586 -0.486035 2.278980
H -4.422748 -4.594719 -1.816443
H 7.038245 0.138475 -2.375922
H 7.641437 0.491875 1.874227
H 8.467096 0.805456 -0.451517


%chk=000262553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262553

0 1
S 0.843281 -1.173808 0.912657
O -4.531751 1.296424 0.954114
O -0.379625 4.059400 -1.512252
N -1.633702 0.142954 0.784816
N 0.093135 1.289209 -0.194521
N -3.643632 3.102361 -0.212862
N -2.579675 3.803112 -0.827336
C -2.162498 1.340022 0.292032
C -2.375297 -0.950000 1.481201
C -0.271564 0.163025 0.461109
C -1.081743 2.027767 -0.301915
C -2.925455 -2.014662 0.535374
C -3.524008 1.848271 0.395216
C 2.495365 -0.331761 0.447291
C 3.620971 -1.382547 0.538222
C -1.244613 3.346163 -0.930177
C 4.961957 -0.743251 0.192640
C -2.184312 -3.190211 0.255392
C -4.199574 -1.837678 -0.063243
C -2.701902 -4.170355 -0.621159
C -4.715467 -2.818174 -0.939255
C 5.350527 -0.572161 -1.161266
C 5.828789 -0.277105 1.213435
C -3.968096 -3.985269 -1.222595
C 6.576237 0.049239 -1.487826
C 7.056415 0.344867 0.890799
C 7.433632 0.510367 -0.461713
H -3.197720 -0.463613 2.029906
H -1.668998 -1.392432 2.206657
H 2.642293 0.506242 1.146044
H 2.366691 0.071213 -0.568296
H 3.399244 -2.212987 -0.158329
H 3.655141 -1.807044 1.559203
H -4.550786 3.572526 -0.172233
H -2.808882 4.702632 -1.256225
H -1.202656 -3.339924 0.720441
H -4.776636 -0.934469 0.167371
H -2.121539 -5.075682 -0.831195
H -5.701524 -2.675194 -1.395365
H 4.691697 -0.930531 -1.962317
H 5.542789 -0.405561 2.264943
H -4.370714 -4.746158 -1.900752
H 6.862801 0.172335 -2.538257
H 7.716834 0.697148 1.691185
H 8.385068 0.991802 -0.713660


