%chk=000050987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050987

0 1
 S   -1.263300      -2.175800      0.3259000    
 O    3.713100      0.9538000     -0.4747000    
 N   -3.575900       1.028300     -0.7241000    
 N   -3.593500       2.364100     -0.2294000    
 C   -2.585100      0.2735000      5.0299998E-02
 C   -2.481100      -1.138100     -0.5410000    
 C   -3.016900      0.2808000       1.517100    
 C   0.2368000      -1.232300      8.3999999E-02
 C   0.9411000     -0.7601000       1.187500    
 C   0.6917000     -0.9755000      -1.206000    
 C    2.571400      0.2359000     -0.2912000    
 C    2.111100     -2.4200000E-02  0.9994000    
 C    1.861800     -0.2398000      -1.394000    
 C    4.388900       1.409300      0.6964000    
 H   -1.613700      0.7764000     -3.7999999E-02
 H   -2.220100      -1.097800      -1.604500    
 H   -3.448100      -1.650500     -0.4723000    
 H   -3.052000       1.288400       1.945700    
 H   -2.317600     -0.2775000       2.147200    
 H   -4.006500     -0.1741000       1.644200    
 H   -3.311200       1.039100      -1.708700    
 H   0.5952000     -0.9531000       2.199900    
 H   0.1598000      -1.343200      -2.079500    
 H    2.612300      0.3153000       1.899300    
 H    2.216600     -4.1600000E-02  -2.401700    
 H   -2.721300       2.831200     -0.4762000    
 H   -4.330700       2.881800     -0.7061000    
 H    3.772300       2.109600       1.270100    
 H    5.274300       1.961300      0.3645000    
 H    4.744300      0.5724000       1.307200    


%chk=000050987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050987

0 1
S -1.246707 -2.118296 0.342339
O 4.038262 0.728349 -0.599549
N -3.496745 1.240370 -0.689031
N -3.809860 2.515050 -0.142190
C -2.774266 0.327226 0.249293
C -2.447389 -0.948165 -0.553945
C -3.641710 0.036356 1.482709
C 0.338328 -1.211772 0.075799
C 0.957185 -0.537405 1.150867
C 0.972905 -1.228252 -1.193168
C 2.815945 0.108470 -0.300695
C 2.198283 0.119304 0.974885
C 2.199106 -0.566430 -1.386160
C 4.730068 1.421222 0.490268
H -1.810230 0.781297 0.587977
H -1.983699 -0.707532 -1.529181
H -3.358754 -1.544352 -0.732080
H -3.897286 0.983693 1.985804
H -3.100461 -0.620247 2.186960
H -4.581801 -0.459018 1.176873
H -3.010650 1.293684 -1.601071
H 0.469826 -0.528461 2.131246
H 0.510964 -1.774482 -2.022796
H 2.659541 0.630030 1.825345
H 2.703091 -0.571017 -2.357356
H -3.081692 3.239117 -0.151820
H -4.756536 2.831324 -0.349611
H 4.120655 2.256280 0.887639
H 5.651981 1.816779 0.039660
H 4.985344 0.724477 1.312292


