%chk=000103758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103758

0 1
 S    4.530800     -0.3798000     -0.1416000    
 O   -1.555900       1.543300       1.665900    
 O    5.221700      0.8703000     -0.4244000    
 O    4.990700      -1.228700      0.9491000    
 N   -4.449900      -1.049500     -0.2792000    
 C   -2.338400      0.3350000     -0.3036000    
 C   -3.354500     -0.4997000      0.5152000    
 C   -1.270400      0.8643000      0.6797000    
 C   -1.739000     -0.4885000      -1.457800    
 C   -3.019000       1.577300     -0.9203000    
 C   0.1581000      0.5581000      0.4777000    
 C   -5.177400      2.1500001E-02 -0.9605000    
 C   -5.358200      -1.824700      0.5663000    
 C   0.9332000       1.416800     -0.2829000    
 C   0.6936000     -0.5823000       1.052400    
 C    2.839800     -1.7800000E-02  9.7199999E-02
 C    2.284000       1.126700     -0.4748000    
 C    2.044400     -0.8724000      0.8607000    
 C    4.566400      -1.369800      -1.618800    
 H   -2.807900      -1.327700      0.9878000    
 H   -3.751500      0.1078000       1.341400    
 H   -1.005400      9.0200000E-02  -2.029900    
 H   -1.239000      -1.389800      -1.086400    
 H   -2.505200     -0.8153000      -2.169200    
 H   -2.251200       2.357300      -1.045800    
 H   -3.744700       2.053500     -0.2550000    
 H   -3.383900       1.463100      -1.941200    
 H   -5.394500      0.8962000     -0.3421000    
 H   -6.176700     -0.3543000      -1.229900    
 H   -4.773900      0.2317000      -1.949200    
 H   -4.818200      -2.633400       1.071700    
 H   -6.136300      -2.304200     -3.8300000E-02
 H   -5.844000      -1.205400       1.329100    
 H   0.5070000       2.308900     -0.7327000    
 H   7.9300001E-02  -1.253100       1.646400    
 H    2.882500       1.802600      -1.079100    
 H    2.454900      -1.772400       1.309800    
 H    4.153900     -0.7887000      -2.445700    
 H    5.606500      -1.628600      -1.828300    
 H    3.982900      -2.277300      -1.452700    


%chk=000103758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103758

0 1
S 4.264894 -1.069901 0.718024
O -1.184991 2.771393 -0.767358
O 5.150218 0.113441 1.420150
O 3.959257 -2.500829 1.452454
N -4.300956 -0.677742 0.168594
C -2.544029 0.761374 -1.004751
C -3.054069 0.088760 0.343530
C -1.213946 1.503660 -0.730117
C -2.404665 -0.285835 -2.146825
C -3.612260 1.793041 -1.446236
C 0.088691 0.785929 -0.392948
C -5.471702 -0.155519 0.898173
C -4.152828 -2.140350 0.277047
C 1.244809 1.611528 -0.280643
C 0.222961 -0.610843 -0.153993
C 2.585197 -0.317647 0.239037
C 2.504804 1.070277 0.039265
C 1.477347 -1.173562 0.170032
C 5.103162 -1.470743 -0.958454
H -2.266743 -0.559554 0.775396
H -3.212925 0.908957 1.072335
H -2.153721 0.217391 -3.098172
H -1.640134 -1.059394 -1.967507
H -3.384771 -0.781349 -2.265493
H -3.316408 2.288483 -2.387162
H -3.747838 2.585663 -0.690528
H -4.569114 1.265413 -1.603009
H -5.403134 -0.295571 2.005579
H -6.386948 -0.667686 0.548707
H -5.591769 0.922217 0.696730
H -3.346344 -2.493412 -0.388857
H -5.088656 -2.634369 -0.042130
H -3.920528 -2.486437 1.315420
H 1.118316 2.686747 -0.440588
H -0.639213 -1.277478 -0.207027
H 3.390775 1.702089 0.162910
H 1.590311 -2.239741 0.393760
H 5.208384 -0.520953 -1.500206
H 6.075945 -1.904119 -0.687037
H 4.457222 -2.192129 -1.477103


