%chk=000103883.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103883

0 1
 S   0.3437000       2.158500     -0.5908000    
 O   -1.942300       1.777100      0.6824000    
 O   -4.181500      -1.554500     -0.6254000    
 O    2.218100      0.2887000     -0.1145000    
 O    3.087300      -1.698700      0.6619000    
 N    1.031700     -0.2069000      0.4442000    
 N    4.392800     -0.1459000     -0.4594000    
 C   -1.325900      0.4854000      0.7063000    
 C   -2.084800     -0.4843000     -0.1867000    
 C   9.6900001E-02  0.6565000      0.2503000    
 C   -3.538500     -0.6278000      0.2387000    
 C   -1.405100       2.562500     -0.3839000    
 C   -5.552900      -1.717000     -0.2891000    
 C    3.218700     -0.6227000      8.6499996E-02
 C    5.641700     -0.8709000     -0.4204000    
 H   -1.328600      0.1289000       1.742200    
 H   -1.600000      -1.468800     -0.1799000    
 H   -2.059100     -0.1559000      -1.233900    
 H   -3.593900     -0.9926000       1.271100    
 H   -4.053100      0.3380000      0.1774000    
 H   -1.954600       2.340600      -1.304000    
 H   -1.533200       3.621200     -0.1441000    
 H   -6.087900     -0.7678000     -0.3900000    
 H   -5.655100      -2.101400      0.7304000    
 H   -5.993300      -2.440500     -0.9804000    
 H    4.377000      0.7594000     -0.9188000    
 H    6.400000     -0.2206000      2.2299999E-02
 H    5.927400      -1.112400      -1.447100    
 H    5.552200      -1.789000      0.1648000    


%chk=000103883-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103883

0 1
S 0.304513 2.337823 -0.728636
O -1.932881 1.917411 0.771484
O -4.219011 -1.473756 -0.704186
O 2.282974 0.241634 -0.162707
O 3.210872 -1.745924 0.820586
N 1.002046 -0.139844 0.449574
N 4.466397 -0.234747 -0.480981
C -1.331977 0.563994 0.685266
C -2.128842 -0.383445 -0.234890
C 0.105454 0.770824 0.186090
C -3.547707 -0.631125 0.288201
C -1.569573 2.685640 -0.391965
C -5.586492 -1.807597 -0.311103
C 3.335424 -0.713914 0.138204
C 5.746154 -0.944946 -0.405609
H -1.324685 0.190105 1.722402
H -1.585622 -1.343732 -0.296309
H -2.184485 0.019419 -1.263484
H -3.516305 -1.146912 1.275640
H -4.093876 0.328902 0.418157
H -2.121848 2.387274 -1.300219
H -1.701149 3.749951 -0.155668
H -6.211958 -0.896379 -0.194863
H -5.608260 -2.378549 0.641887
H -5.997223 -2.432227 -1.119746
H 4.388260 0.636250 -1.006639
H 6.533649 -0.301210 0.027014
H 6.073726 -1.292942 -1.402866
H 5.610126 -1.822879 0.245465


