%chk=000036941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036941

0 1
 S   -1.132000       1.875300      0.5877000    
 O   -2.018500       2.134700       1.706800    
 O  -0.9662000       2.877400     -0.4475000    
 O    1.090200      -2.688000       1.143200    
 O   0.8085000     -0.9717000       2.606500    
 N   0.4049000       1.391900       1.193700    
 C   -1.703600      0.3893000     -0.1854000    
 C    1.340700      0.7907000      0.2938000    
 C    1.714300     -0.5459000      0.4334000    
 C    1.880300       1.561900     -0.7357000    
 C   -2.437500     -0.5170000      0.5579000    
 C   -1.403600      0.1643000      -1.516600    
 C    2.627600      -1.111400     -0.4564000    
 C    2.793600      0.9964000      -1.625600    
 C   -2.886900      -1.688900     -5.0700001E-02
 C   -1.853000      -1.007500      -2.125300    
 C    3.167200     -0.3402000      -1.485900    
 C   -2.594700      -1.934100      -1.392500    
 C    1.168700      -1.377400       1.498500    
 H   0.4168000       1.024600       2.153500    
 H    1.618000       2.609700     -0.8511000    
 H   -2.666900     -0.3493000       1.605500    
 H  -0.8302000      0.8729000      -2.105800    
 H    2.949700      -2.145500     -0.3670000    
 H    3.217500       1.598000      -2.424300    
 H   -3.461900      -2.411800      0.5206000    
 H   -1.625300      -1.198600      -3.170000    
 H    3.881300     -0.7790000      -2.176600    
 H   -2.943600      -2.847000      -1.866200    
 H   0.7197000      -3.240200       1.864500    


%chk=000036941-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036941

0 1
S -1.180200 1.473691 0.683386
O -1.928952 1.575816 2.117450
O -0.766803 2.787694 -0.180337
O 3.365677 -2.053983 2.530469
O 1.348551 -1.017588 2.970934
N 0.285028 0.474080 1.098037
C -2.187817 0.339067 -0.454496
C 1.407632 0.237254 0.308760
C 2.441005 -0.636986 0.819761
C 1.581746 0.809065 -0.986767
C -2.917440 -0.698491 0.148231
C -2.190977 0.612743 -1.830466
C 3.583384 -0.920742 0.019751
C 2.720502 0.505370 -1.749881
C -3.682133 -1.532106 -0.699589
C -2.963979 -0.233556 -2.660027
C 3.728508 -0.365860 -1.259510
C -3.699607 -1.302131 -2.096556
C 2.310207 -1.217623 2.160904
H 0.283406 0.098481 2.071585
H 0.846796 1.526501 -1.360533
H -2.904472 -0.838121 1.233902
H -1.635252 1.466534 -2.230811
H 4.346592 -1.584843 0.434932
H 2.831836 0.964360 -2.738766
H -4.265390 -2.352225 -0.268701
H -2.993542 -0.052266 -3.739269
H 4.610991 -0.590665 -1.865641
H -4.296490 -1.951856 -2.745530
H 3.196294 -2.388012 3.451781


