%chk=000229236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229236

0 1
S -2.406154 -2.937596 0.677801
O -3.360204 -3.873161 0.110486
O -1.939772 -3.134807 2.025985
O -6.206000 2.354818 -1.267828
N 5.287306 1.379389 0.158812
N -1.064977 -3.114356 -0.425767
N -0.035046 -2.259316 -0.181581
N -4.253552 2.649144 -0.069626
C 4.286930 0.414165 -0.066420
C 6.358003 1.594307 -0.848909
C 5.650871 1.763231 1.552642
C 3.374261 0.066024 0.961441
C 4.115039 -0.168451 -1.348973
C 7.429468 0.502990 -0.844303
C 4.939106 3.060782 1.939451
C 2.168517 -1.397431 -0.562607
C 2.335331 -0.822499 0.709237
C 3.071711 -1.055484 -1.584438
C -2.946166 -1.329438 0.452969
C 1.086130 -2.353915 -0.845865
C -4.135901 -1.083211 -0.246987
C -2.207075 -0.254919 0.965752
C -3.849499 1.293443 0.083873
C -4.595014 0.216500 -0.434066
C -2.646941 1.053622 0.790013
C -5.420200 3.111508 -0.743282
C -5.562448 4.606046 -0.729773
H 6.817933 2.589488 -0.653231
H 5.887094 1.665423 -1.857582
H 5.386062 0.952031 2.269414
H 6.752465 1.894916 1.636064
H 3.474004 0.494191 1.955428
H 4.793152 0.080171 -2.161111
H 8.171057 0.673321 -1.632337
H 6.993326 -0.490946 -1.011655
H 7.966645 0.457688 0.109414
H 5.174237 3.349606 2.968795
H 3.848949 2.959948 1.856790
H 5.226588 3.889022 1.280832
H 1.640480 -1.083238 1.510974
H 2.954551 -1.488430 -2.578111
H 1.308297 -3.098251 -1.622409
H -4.716253 -1.924141 -0.650789
H -1.271286 -0.441424 1.508105
H -5.527800 0.397884 -0.980769
H -2.060060 1.875372 1.191689
H -0.974887 -3.916259 -1.063712
H -3.631804 3.347217 0.348186
H -4.730101 5.116331 -1.233560
H -6.483160 4.897572 -1.266292
H -5.648112 5.015024 0.286331


%chk=000229236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229236

0 1
S -2.319605 -2.810464 0.035543
O -3.307486 -3.904161 -0.663510
O -1.588178 -3.097045 1.468171
O -6.832990 2.476169 -1.101395
N 5.906357 1.076604 0.213968
N -1.002420 -2.387427 -1.431531
N 0.051528 -1.647380 -0.939460
N -5.205683 2.506515 0.593086
C 4.779993 0.339502 -0.155243
C 7.258506 0.722927 -0.267825
C 5.812782 2.246253 1.112887
C 3.455819 0.751333 0.229824
C 4.890862 -0.857659 -0.939063
C 7.972932 -0.328412 0.613811
C 5.514755 3.571225 0.372109
C 2.443985 -1.183118 -0.912398
C 2.329013 0.010020 -0.137208
C 3.752036 -1.586248 -1.308118
C -3.212415 -1.173465 0.174519
C 1.291357 -1.981920 -1.289324
C -4.264403 -0.899824 -0.713254
C -2.804762 -0.283287 1.181309
C -4.562598 1.252215 0.410891
C -4.952213 0.325059 -0.596304
C -3.492495 0.937881 1.295939
C -6.270986 3.058984 -0.130327
C -6.710978 4.441630 0.344948
H 7.859636 1.651322 -0.293375
H 7.197073 0.369511 -1.313452
H 5.047248 2.057721 1.887594
H 6.775948 2.333895 1.649876
H 3.311607 1.669248 0.806475
H 5.871478 -1.228380 -1.248890
H 8.979630 -0.549253 0.213199
H 7.399658 -1.270687 0.653577
H 8.089382 0.040174 1.649028
H 5.470691 4.413291 1.087493
H 4.551729 3.519640 -0.164701
H 6.303554 3.791956 -0.369579
H 1.327874 0.340938 0.157901
H 3.875425 -2.498662 -1.905677
H 1.482085 -2.872032 -1.925855
H -4.552638 -1.635609 -1.470578
H -1.989340 -0.552160 1.859273
H -5.777329 0.574805 -1.264722
H -3.197924 1.651570 2.075505
H -0.762731 -3.350766 -1.794180
H -4.838244 3.078286 1.356810
H -6.148675 4.820121 1.216139
H -6.600411 5.157608 -0.487686
H -7.783340 4.405457 0.602284


