%chk=000004838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004838

0 1
 S    1.765700      8.7200001E-02 -8.9100003E-02
 O    2.277300      -1.160100      0.8280000    
 O    2.365000       1.310800      0.4070000    
 O    1.851600     -0.2928000      -1.486000    
 N   -2.763000     -2.6600000E-02 -0.3114000    
 C   6.6000000E-02  4.6200000E-02  0.4035000    
 C  -0.6135000      -1.227500     -9.6000001E-02
 C  -0.6760000       1.281500     -0.1030000    
 C   -2.106300      -1.218200      0.2271000    
 C   -2.166700       1.199600      0.2199000    
 H   6.0500000E-02  6.3199997E-02   1.501000    
 H  -0.1518000      -2.112000      0.3580000    
 H  -0.4875000      -1.333700      -1.181100    
 H  -0.5420000       1.384900      -1.188000    
 H  -0.2568000       2.188600      0.3484000    
 H   -2.578900      -2.108500     -0.2020000    
 H   -2.262500      -1.271700       1.311300    
 H   -2.326000       1.251900       1.303800    
 H   -2.682700       2.062600     -0.2149000    
 H   -2.666400     -2.7300000E-02  -1.327100    
 H    2.319500     -0.9850000       1.797500    


%chk=000004838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004838

0 1
S 1.870723 0.110599 0.023510
O 2.317041 -1.043148 1.443340
O 2.501051 1.579270 0.292434
O 2.213539 -0.631981 -1.377910
N -2.888960 -0.002713 -0.325765
C -0.090149 0.047019 0.450825
C -0.666673 -1.234320 -0.131094
C -0.731492 1.322489 -0.081071
C -2.218822 -1.226101 0.143116
C -2.278092 1.226749 0.202822
H -0.018067 0.029723 1.552552
H -0.205297 -2.124477 0.331186
H -0.485003 -1.279075 -1.221204
H -0.574297 1.414821 -1.172846
H -0.308868 2.219869 0.404712
H -2.674072 -2.105701 -0.344095
H -2.391553 -1.324267 1.232331
H -2.445056 1.260335 1.296972
H -2.779583 2.106840 -0.235611
H -3.012616 0.019570 -1.345660
H 3.291745 -1.252400 1.368355


