%chk=000227002.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227002

0 1
 S   -1.310100       3.170300     -0.7765000    
 O   -2.141600       4.284300     -0.3636000    
 O  -0.9098000       3.027300      -2.163200    
 O   -3.293200      -3.418900     -0.6489000    
 O    4.510100      -3.193300      -1.037400    
 O    2.625800      -2.336300      -1.768400    
 N   7.6899998E-02   3.106900      0.2099000    
 N   -4.137700      -1.788800      0.8305000    
 N   0.9480000       1.961000      1.4800000E-02
 N    3.637600      -2.291600      -1.027600    
 C   -2.153600       1.691600     -0.2978000    
 C   -1.890900      0.5148000     -0.9765000    
 C   -3.059800       1.740000      0.7466000    
 C   -3.473100     -0.6221000      0.4519000    
 C   -2.556100     -0.6516000     -0.5986000    
 C   -3.724900      0.5736000       1.124700    
 C    3.006200      0.9153000      0.7376000    
 C    2.844800     -0.1707000     -0.1228000    
 C    2.010000       1.974400      0.7677000    
 C    3.800100      -1.186600     -0.1507000    
 C    4.123200      0.9852000       1.570200    
 C    4.917100      -1.116500      0.6819000    
 C    5.078600     -3.0600000E-02   1.542400    
 C   -4.016300      -3.071500      0.2791000    
 C   -4.911300      -4.066200      0.9747000    
 H   -1.175800      0.4717000      -1.792400    
 H   -3.263600       2.658700       1.287700    
 H   -2.307500      -1.538300      -1.164900    
 H   -4.435500      0.6106000       1.946500    
 H   9.6500002E-02   3.583600       1.119300    
 H   -4.790300      -1.685000       1.604800    
 H    1.971300     -0.2188000     -0.7688000    
 H    2.186400       2.810600       1.468700    
 H    4.262900       1.824900       2.246100    
 H    5.681900      -1.889000      0.6872000    
 H    5.948300      2.4300000E-02   2.190800    
 H   -4.624700      -4.148000       2.027000    
 H   -4.813200      -5.047300      0.5020000    
 H   -5.953200      -3.741400      0.9035000    


%chk=000227002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227002

0 1
S -1.223864 2.978644 -0.733243
O -2.040914 4.326879 -0.332534
O -0.558967 2.761776 -2.196826
O -3.711453 -3.591392 -0.657730
O 4.674811 -3.138023 -0.954818
O 2.567865 -2.371498 -1.365628
N 0.143464 2.985064 0.641357
N -4.515322 -1.893616 0.752176
N 1.110538 2.060878 0.455034
N 3.739856 -2.254716 -0.840226
C -2.206296 1.459129 -0.279629
C -1.933729 0.256290 -0.950174
C -3.202370 1.591633 0.702991
C -3.709900 -0.791166 0.369611
C -2.694145 -0.884862 -0.624119
C -3.957864 0.451210 1.023259
C 3.309815 1.118910 0.834433
C 3.034019 -0.053057 0.079574
C 2.306501 2.177650 1.000455
C 4.036455 -1.027541 -0.050490
C 4.591735 1.265643 1.435391
C 5.315801 -0.895250 0.539021
C 5.581453 0.269427 1.286700
C -4.498243 -3.206330 0.251662
C -5.515414 -4.143480 0.895250
H -1.157527 0.212021 -1.720378
H -3.390392 2.556883 1.182697
H -2.515245 -1.839698 -1.120560
H -4.747160 0.524550 1.781338
H 0.368370 3.984180 0.843336
H -5.202179 -1.702812 1.485156
H 2.057847 -0.191161 -0.391460
H 2.589263 3.054670 1.612914
H 4.811766 2.166526 2.020877
H 6.058009 -1.685891 0.405311
H 6.561868 0.401216 1.755188
H -4.981649 -5.009793 1.321954
H -6.189101 -4.531542 0.112001
H -6.124205 -3.674751 1.687628


