%chk=000030340.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030340

0 1
 S   -2.962000     -0.4605000     -0.5292000    
 O   -3.488800      0.4872000      -1.492000    
 O   -3.153000      -1.885900     -0.7166000    
 O    3.335800       1.733500      0.1848000    
 N    3.766800     -0.5126000     -0.2075000    
 N    5.139100     -0.3472000     -9.2399999E-02
 C   -3.596200     -4.3800000E-02   1.073400    
 C   -1.228700     -0.1519000     -0.3884000    
 C   -5.095100     -0.2995000       1.129800    
 C   -3.265800       1.402500       1.411200    
 C  -0.7375000       1.105200     -0.6991000    
 C  -0.3907000      -1.172200      2.9100001E-02
 C    1.489400      0.3322000     -0.1702000    
 C   0.6315000       1.348900     -0.5892000    
 C   0.9784000     -0.9284000      0.1390000    
 C    2.916500      0.5865000     -5.4800000E-02
 C    5.660300      -1.194100      0.9719000    
 H   -3.103400     -0.7082000       1.792700    
 H   -5.490300     -7.9800002E-02   2.127100    
 H   -5.634800      0.3224000      0.4074000    
 H   -5.326600      -1.345600      0.9031000    
 H   -3.755400       1.695000       2.347200    
 H   -3.601900       2.097100      0.6343000    
 H   -2.194300       1.552100       1.567300    
 H   -1.387400       1.911000      -1.026200    
 H  -0.7720000      -2.155600      0.2866000    
 H    1.010600       2.336600     -0.8384000    
 H    1.607700      -1.738000      0.4973000    
 H    3.433800      -1.436500     -0.4638000    
 H    5.546600     -0.6340000     -0.9817000    
 H    6.744200      -1.062900       1.045900    
 H    5.460300      -2.253500      0.7781000    
 H    5.226500     -0.9223000       1.940100    


%chk=000030340-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030340

0 1
S -3.008116 -0.353427 -0.532034
O -3.545856 0.753966 -1.616338
O -3.228228 -1.965104 -0.751325
O 3.536040 1.742202 0.183416
N 3.916208 -0.538410 -0.250027
N 5.309009 -0.475670 -0.099693
C -3.817769 0.098222 1.243482
C -1.139701 -0.076035 -0.341278
C -5.226720 -0.490539 1.200201
C -3.723736 1.610960 1.413457
C -0.608372 1.169086 -0.718193
C -0.356331 -1.147769 0.114725
C 1.617049 0.293816 -0.155774
C 0.786215 1.350469 -0.609568
C 1.039890 -0.951859 0.208607
C 3.101719 0.579966 -0.043710
C 5.883430 -1.384444 0.901184
H -3.147877 -0.463719 1.918474
H -5.687758 -0.400364 2.201803
H -5.861065 0.052000 0.477306
H -5.203734 -1.557720 0.919781
H -4.244183 1.902567 2.345231
H -4.216459 2.124993 0.568791
H -2.679901 1.963211 1.485232
H -1.267416 1.951397 -1.109360
H -0.822730 -2.107792 0.360007
H 1.253815 2.306036 -0.866706
H 1.664130 -1.763783 0.598905
H 3.478094 -1.415919 -0.564533
H 5.809434 -0.397597 -0.990735
H 6.976796 -1.232290 0.915835
H 5.685523 -2.466248 0.707992
H 5.492201 -1.132502 1.901644


