%chk=000130864.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130864

0 1
 S  -0.2719000      -1.684200       1.480200    
 S    1.431200     -0.6486000       1.983500    
 O   -5.846900      0.7864000     -0.7286000    
 O    2.674200       2.871900     -0.2852000    
 O    1.705400       1.902700       1.429800    
 N    2.623900      -1.846000     -6.2700003E-02
 N   -7.145500      0.2462000      -1.098900    
 N    2.329900       1.843400      0.3440000    
 C   -2.729500     -0.8949000      0.5298000    
 C   -3.664300      0.2293000      8.3899997E-02
 C   -1.374000     -0.3398000      0.9568000    
 C   -5.034600     -0.3025000     -0.3119000    
 C    2.317600     -0.6239000      0.4359000    
 C    2.658000      0.5679000     -0.1916000    
 C    3.350100      0.5012000      -1.395700    
 C    3.679500     -0.7377000      -1.934200    
 C    3.296900      -1.871200      -1.235000    
 H   -2.603300      -1.606700     -0.2959000    
 H   -3.191800      -1.438600       1.363400    
 H   -3.781400      0.9676000      0.8872000    
 H   -3.226200      0.7735000     -0.7621000    
 H   -1.504300      0.3596000       1.789500    
 H  -0.9134000      0.1953000      0.1194000    
 H   -4.933100      -1.021400      -1.134300    
 H   -5.502300     -0.8049000      0.5439000    
 H    3.650700       1.389500      -1.945100    
 H    4.218500     -0.8145000      -2.871500    
 H    3.529600      -2.861500      -1.612400    
 H   -7.235800      0.6111000      -2.045800    
 H   -7.756600      0.8102000     -0.5103000    


%chk=000130864-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130864

0 1
S -0.401807 -1.059636 1.890539
S 1.415778 0.328713 1.995639
O -6.143467 0.162773 -1.088989
O 5.420251 1.801409 0.699515
O 3.633854 1.684250 2.124255
N 1.511656 -0.672199 -0.571635
N -7.499051 -0.475616 -1.166824
N 4.231482 1.398971 1.001706
C -2.931576 -0.753261 0.733455
C -3.929552 0.025942 -0.160114
C -1.562738 -0.048605 0.775638
C -5.295929 -0.669487 -0.212380
C 2.196884 0.049788 0.356948
C 3.487484 0.580040 0.044477
C 4.080672 0.317768 -1.212427
C 3.368451 -0.451140 -2.147157
C 2.079693 -0.914785 -1.780440
H -2.808363 -1.782910 0.342954
H -3.339893 -0.841349 1.759708
H -4.062936 1.054326 0.227079
H -3.529774 0.114057 -1.188549
H -1.642688 0.965284 1.200961
H -1.093729 -0.007079 -0.220256
H -5.217071 -1.692972 -0.631682
H -5.755632 -0.739906 0.794136
H 5.075174 0.725119 -1.415001
H 3.784035 -0.681579 -3.131364
H 1.473254 -1.500325 -2.480354
H -7.649460 -0.621098 -2.181664
H -8.144404 0.262902 -0.832075


