%chk=000064055.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064055

0 1
 S   -2.921400     -0.7802000      0.7773000    
 O   0.4621000       2.709600      4.0500000E-02
 N  -0.3300000      -1.209400      0.3567000    
 N   -1.086700       1.053000      0.3799000    
 C   0.9941000     -0.8381000      0.1136000    
 C    1.303200      0.5251000     -2.3000001E-03
 C   -1.278900     -0.2278000      0.4720000    
 C    2.012700      -1.785200     -1.7100001E-02
 C    2.615300      0.9394000     -0.2458000    
 C   0.1966000       1.515800      0.1405000    
 C    3.324000      -1.373600     -0.2612000    
 C    3.623900     -1.5500000E-02 -0.3749000    
 C   -3.717200     -9.1300003E-02 -0.6861000    
 C   -5.197700     -0.4218000     -0.6930000    
 H  -0.5617000      -2.191200      0.4412000    
 H    1.794100      -2.846600      6.9100000E-02
 H    2.869600       1.991300     -0.3379000    
 H    4.113500      -2.112800     -0.3626000    
 H    4.646300      0.2988000     -0.5646000    
 H   -3.591600      0.9960000     -0.7009000    
 H   -3.242700     -0.5003000      -1.584000    
 H   -5.368700      -1.503700     -0.7096000    
 H   -5.708400     -1.4000000E-03  0.1801000    
 H   -5.669500      3.9999999E-04  -1.586600    


%chk=000064055-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064055

0 1
S -2.857034 -1.738655 -1.003016
O -0.061929 2.503498 -0.514794
N -0.224032 -1.590979 -0.391558
N -1.301142 0.522852 -0.720760
C 1.030460 -1.004820 -0.134600
C 1.120566 0.418035 -0.170605
C -1.323713 -0.790482 -0.674535
C 2.170248 -1.797966 0.152803
C 2.371594 1.031829 0.086391
C -0.092075 1.241705 -0.474608
C 3.400691 -1.164051 0.404441
C 3.506835 0.252359 0.372217
C -4.078119 -0.292525 -1.193924
C -4.633324 0.184592 0.151384
H -0.324117 -2.608389 -0.365485
H 2.091939 -2.891227 0.177823
H 2.413500 2.125456 0.052671
H 4.283921 -1.772610 0.626800
H 4.470757 0.731947 0.569702
H -3.501134 0.501329 -1.695576
H -4.853871 -0.690478 -1.869020
H -5.142930 -0.627156 0.698953
H -3.821976 0.588195 0.779761
H -5.364216 0.998040 -0.020165


