%chk=000228391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228391

0 1
S -0.049186 2.860006 -0.881547
O -0.039316 3.986403 -1.782988
O 0.074923 3.049178 0.542016
O 4.727629 -0.186619 0.572887
O 1.020922 -2.661477 1.808146
N 1.371040 -1.225124 -0.030992
N -1.531846 2.066794 -1.245315
N 3.083888 -1.579560 1.455600
C 2.448041 -0.265494 -0.418995
C 2.053162 1.210960 -0.280082
C 1.151792 1.677242 -1.418563
C 3.605914 -0.616802 0.554755
C 1.709283 -1.907303 1.168262
C -1.997333 0.883496 -0.605025
C -3.003571 0.127775 -1.242191
C -3.431360 -1.082155 -0.688435
C -1.441552 0.438589 0.604021
C -2.843220 -1.556815 0.509567
C -1.867619 -0.779918 1.141998
C -4.502080 -1.867615 -1.373220
C -3.256795 -2.861862 1.107449
H 2.769654 -0.500300 -1.468494
H 2.980815 1.829893 -0.255911
H 1.581124 1.383945 0.718044
H 1.773169 2.107231 -2.237342
H 0.666051 0.810586 -1.918674
H 0.395970 -0.970319 -0.205848
H -2.197102 2.514775 -1.889624
H 3.613164 -2.020093 2.203587
H -3.450739 0.485700 -2.166172
H -0.742862 1.056145 1.172551
H -1.425125 -1.127681 2.079393
H -5.359499 -2.036157 -0.704231
H -4.888925 -1.371631 -2.272512
H -4.134501 -2.857676 -1.681437
H -4.300894 -2.831900 1.449109
H -3.167088 -3.684585 0.384349
H -2.640831 -3.138730 1.975162


%chk=000228391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228391

0 1
S -0.047193 2.874577 -0.781991
O -0.045676 4.155853 -1.778487
O 0.296263 3.053747 0.797194
O 4.978654 -0.215715 0.171803
O 1.417443 -2.261750 2.503583
N 1.516308 -1.064992 0.445665
N -1.694165 2.173317 -1.020127
N 3.436334 -1.369910 1.568101
C 2.530423 -0.364126 -0.357220
C 2.278041 1.157515 -0.537805
C 1.117159 1.435508 -1.495441
C 3.828272 -0.618887 0.458920
C 2.026181 -1.638761 1.602899
C -2.118143 0.918781 -0.519128
C -3.112044 0.191148 -1.229328
C -3.569575 -1.065884 -0.772368
C -1.564849 0.362379 0.663787
C -2.991142 -1.645258 0.401003
C -1.994241 -0.914667 1.092040
C -4.653075 -1.799079 -1.541942
C -3.439213 -3.003793 0.906461
H 2.657237 -0.840586 -1.350076
H 3.210570 1.621975 -0.902672
H 2.055213 1.598255 0.455177
H 1.395757 1.858134 -2.472956
H 0.406654 0.601282 -1.612406
H 0.508371 -1.040894 0.275105
H -2.281237 2.767962 -1.611294
H 4.064979 -1.686860 2.306488
H -3.533153 0.614423 -2.149746
H -0.858591 0.943419 1.266413
H -1.555755 -1.339593 2.003581
H -5.542261 -1.979497 -0.908063
H -4.979894 -1.227548 -2.426897
H -4.304962 -2.791325 -1.887054
H -4.520061 -3.013802 1.146078
H -3.274911 -3.797256 0.151838
H -2.888621 -3.289193 1.818164


