%chk=000201336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201336

0 1
S -1.511837 -2.655781 -0.275480
O -1.321667 0.922916 -1.898951
O -0.094586 -2.216268 -0.365997
N -4.773968 0.847558 2.488987
C 3.230422 0.324651 0.002143
C 2.361692 1.111390 -0.989295
C 4.718557 0.658020 -0.165189
C 5.582824 -0.130591 0.827831
C 0.883188 0.747210 -0.828534
C 7.073197 0.198441 0.663062
C 0.013262 1.502791 -1.825145
C 7.937377 -0.584149 1.649724
C -2.077443 0.929605 -0.736249
C -2.750747 -0.278826 -0.435839
C -2.521395 -1.488170 -1.268313
C -2.252252 2.078875 0.043314
C -3.628948 -0.299114 0.651834
C -3.813195 0.856737 1.439111
C -3.115425 2.043865 1.136275
C -1.676465 -4.096606 -1.371376
H 3.064532 -0.762829 -0.140036
H 2.907119 0.538339 1.038818
H 2.692478 0.897445 -2.024409
H 2.506486 2.197935 -0.838081
H 5.038962 0.435306 -1.201162
H 4.879908 1.743901 -0.025331
H 5.261937 0.088199 1.864238
H 5.420096 -1.216836 0.688097
H 0.543386 0.941449 0.206664
H 0.735321 -0.355758 -0.959179
H 7.394647 -0.024282 -0.373146
H 7.236296 1.284762 0.803429
H -0.075148 2.576428 -1.596328
H 0.339663 1.364569 -2.873380
H 7.669232 -0.357705 2.687844
H 8.998745 -0.344145 1.524075
H 7.826145 -1.665764 1.512195
H -3.467841 -1.965950 -1.570603
H -1.995318 -1.215909 -2.211355
H -1.720505 2.994407 -0.208719
H -4.179916 -1.205985 0.886054
H -3.260227 2.936555 1.739164
H -0.999878 -4.889685 -1.032874
H -1.406185 -3.884377 -2.409509
H -2.694835 -4.486332 -1.350542
H -4.962805 -0.058559 2.894736
H -4.635383 1.545667 3.207028


%chk=000201336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201336

0 1
S -1.828688 -2.950288 -0.430706
O -1.303338 0.687275 -1.838307
O -0.229492 -2.538216 -0.698349
N -4.761223 1.008974 2.633648
C 3.394631 0.309250 0.050352
C 2.458613 0.968985 -0.987665
C 4.880466 0.688147 -0.140017
C 5.817906 0.031896 0.898574
C 0.979375 0.563154 -0.794936
C 7.304157 0.412811 0.709485
C 0.066479 1.254985 -1.818612
C 8.234406 -0.245480 1.751452
C -2.087636 0.788413 -0.674475
C -2.985787 -0.288444 -0.413915
C -2.957080 -1.500870 -1.276566
C -2.082848 1.914718 0.181252
C -3.876742 -0.195157 0.684458
C -3.878767 0.931329 1.548721
C -2.959385 1.986020 1.280939
C -2.183313 -4.246225 -1.812949
H 3.281019 -0.792213 -0.009176
H 3.069387 0.598715 1.071456
H 2.790310 0.682070 -2.007968
H 2.564204 2.073710 -0.923445
H 5.205133 0.395914 -1.161004
H 4.988456 1.792195 -0.084290
H 5.493888 0.321200 1.920475
H 5.713191 -1.071751 0.841808
H 0.657497 0.822977 0.232937
H 0.853180 -0.532460 -0.894683
H 7.626841 0.122396 -0.311484
H 7.406760 1.516133 0.764810
H 0.022074 2.353079 -1.656918
H 0.424027 1.075047 -2.847355
H 7.953424 0.054655 2.778781
H 9.290588 0.040971 1.592441
H 8.171306 -1.348813 1.696956
H -3.933665 -2.001860 -1.377101
H -2.458407 -1.337182 -2.242578
H -1.398044 2.747014 -0.010877
H -4.573794 -1.022290 0.874333
H -2.936607 2.866227 1.935235
H -1.537648 -5.106703 -1.586470
H -1.894071 -3.782971 -2.768024
H -3.248400 -4.525757 -1.795539
H -5.396903 0.246549 2.844860
H -4.755979 1.815269 3.250037


