%chk=000121573.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121573

0 1
 S    1.500100      -1.719300     -0.2052000    
 S   -1.137500      -3.100100     -0.3205000    
 O   0.1530000       1.850400     -0.1673000    
 N  -0.6897000     -0.3514000     -0.1789000    
 C    1.654200      3.3300001E-02 -0.5965000    
 C    2.767400      0.6772000      0.2114000    
 C    4.130400      8.0300003E-02 -0.1381000    
 C   0.3011000      0.6368000     -0.2926000    
 C    5.251600      0.7544000      0.6524000    
 C  -0.2597000      -1.677300     -0.2055000    
 C   -2.057500      5.0400000E-02 -6.3999998E-03
 C    6.612800      0.1867000      0.2830000    
 C   -2.497600       1.253000     -0.5499000    
 C   -2.932300     -0.7668000      0.7022000    
 C   -3.826600       1.642600     -0.3832000    
 C   -4.261300     -0.3774000      0.8690000    
 C   -4.708400      0.8274000      0.3263000    
 H    1.831600      0.1448000      -1.672000    
 H    2.574900      0.5818000       1.288400    
 H    2.789200       1.755300      5.2000000E-03
 H    4.164100     -0.9929000      7.7000000E-02
 H    4.318500      0.2007000      -1.212200    
 H    5.083600      0.6182000       1.727000    
 H    5.248900       1.833100      0.4575000    
 H    6.825000      0.3363000     -0.7805000    
 H    6.661800     -0.8859000      0.4958000    
 H    7.399600      0.6834000      0.8593000    
 H   -1.876800       1.889500      -1.170900    
 H   -2.623700      -1.640600       1.261100    
 H   -4.179200       2.573200     -0.8183000    
 H   -4.941600     -0.9968000       1.446500    
 H   -5.742300       1.132200      0.4590000    


%chk=000121573-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121573

0 1
S 1.475634 -1.691923 -1.071422
S -1.292380 -2.967820 -0.666569
O 0.076213 1.965465 -0.376500
N -0.690461 -0.271407 -0.442505
C 1.692566 0.188891 -0.873602
C 2.731327 0.557366 0.208447
C 4.171085 0.151333 -0.171794
C 0.303818 0.745408 -0.549087
C 5.198696 0.535595 0.917118
C -0.306988 -1.607775 -0.687491
C -2.058621 0.087373 -0.101915
C 6.644631 0.156765 0.531295
C -2.805314 0.885773 -0.994001
C -2.608413 -0.347912 1.123166
C -4.126177 1.250569 -0.652922
C -3.930726 0.017681 1.454013
C -4.691074 0.816037 0.568014
H 2.008881 0.585916 -1.855263
H 2.442400 0.084980 1.167125
H 2.676149 1.654727 0.353177
H 4.218905 -0.943287 -0.347326
H 4.450693 0.639104 -1.129035
H 4.925507 0.036465 1.868707
H 5.138577 1.626389 1.107855
H 6.955208 0.670353 -0.397938
H 6.738052 -0.932189 0.360710
H 7.359384 0.436408 1.326400
H -2.358889 1.218663 -1.935982
H -2.012598 -0.966535 1.800810
H -4.710802 1.871284 -1.339978
H -4.364781 -0.319609 2.401113
H -5.716902 1.098412 0.828479


