%chk=000224598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224598

0 1
S -0.516882 -1.019517 1.675244
O -2.938861 -0.264544 -2.093286
O -0.263399 -2.441151 1.591390
O -1.328432 -0.457228 2.732709
N 0.997092 -0.250067 1.730157
N -1.265289 -0.529482 0.190585
C 2.167231 -0.914416 1.109593
C 1.046496 1.220418 1.910564
C -2.652301 0.004780 0.322120
C -1.147254 -1.488732 -0.943969
C 2.262973 -0.759849 -0.417280
C 0.812579 2.033137 0.626448
C -3.049663 0.673923 -1.003323
C -1.605823 -0.792943 -2.237052
C 3.560742 -1.373961 -0.953759
C 0.949265 3.536335 0.894296
C 3.663973 -1.238222 -2.470954
C 0.721567 4.357006 -0.373038
H 3.087278 -0.506957 1.589442
H 2.128507 -1.999207 1.381393
H 0.288310 1.494968 2.684901
H 2.038962 1.480050 2.347110
H -3.386038 -0.795582 0.571755
H -2.682330 0.743794 1.156826
H -0.074204 -1.800185 -1.042227
H -1.743012 -2.414670 -0.774548
H 2.203506 0.316605 -0.693734
H 1.387487 -1.242175 -0.907775
H -0.187969 1.811963 0.203961
H 1.534811 1.714978 -0.157946
H -2.426285 1.557743 -1.223377
H -4.120962 0.941808 -1.030543
H -1.724103 -1.505979 -3.072535
H -0.924805 0.027323 -2.523976
H 3.617023 -2.444540 -0.670734
H 4.435186 -0.888513 -0.476456
H 0.226057 3.847854 1.674462
H 1.953509 3.759100 1.306151
H 2.841714 -1.752278 -2.981341
H 3.642906 -0.189042 -2.786946
H 4.599607 -1.672353 -2.843035
H 1.447500 4.105400 -1.154528
H -0.278572 4.190115 -0.789072
H 0.816704 5.430296 -0.171373


%chk=000224598-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224598

0 1
S -0.451390 -0.858457 1.645016
O -3.199719 -0.827075 -2.223419
O -0.173398 -2.454933 1.807158
O -1.364814 -0.019395 2.700923
N 1.157988 -0.065406 1.637838
N -1.253199 -0.608405 -0.149316
C 2.254062 -0.801600 0.979359
C 1.196337 1.373683 1.958780
C -2.529114 0.154769 -0.039374
C -1.501621 -1.934345 -0.784978
C 2.421757 -0.600519 -0.548412
C 0.960723 2.370969 0.796851
C -2.985858 0.429177 -1.494886
C -1.970858 -1.629096 -2.229642
C 3.489671 -1.555335 -1.129768
C 0.943813 3.830354 1.307128
C 3.695427 -1.363058 -2.647841
C 0.732543 4.856913 0.173694
H 3.182961 -0.499399 1.504742
H 2.102854 -1.876095 1.197395
H 0.447260 1.552911 2.752794
H 2.193382 1.552871 2.411006
H -3.319860 -0.407382 0.499553
H -2.353391 1.106002 0.491100
H -0.569360 -2.523643 -0.803022
H -2.279330 -2.524138 -0.256846
H 2.707011 0.446770 -0.767276
H 1.448218 -0.772518 -1.047989
H -0.002620 2.136988 0.301816
H 1.747608 2.258753 0.026412
H -2.221342 1.047190 -2.011242
H -3.957852 0.948889 -1.500538
H -2.225160 -2.563665 -2.755807
H -1.165096 -1.093739 -2.775136
H 3.192273 -2.604156 -0.925431
H 4.453795 -1.398174 -0.603741
H 0.141770 3.943159 2.064519
H 1.897864 4.049413 1.829630
H 2.753849 -1.540268 -3.201201
H 4.029138 -0.333445 -2.876607
H 4.456122 -2.060366 -3.043786
H 1.540118 4.790108 -0.579475
H -0.227228 4.680753 -0.347575
H 0.719463 5.890942 0.563896


