%chk=000059885.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059885

1 1
 S   -3.580700      -1.644700      0.5018000    
 S   -1.847700     -0.7448000      -1.768600    
 N  -7.7399999E-02   1.735800      0.3166000    
 C    1.209500     -0.2573000      0.2539000    
 C  -3.1000001E-03  0.4055000      0.4525000    
 C    2.345600      0.5066000     -9.0899996E-02
 C    2.218100       1.895300     -0.2212000    
 C   0.9810000       2.486700     -8.9999996E-03
 C    1.323000      -1.649900      0.3879000    
 C    3.572900     -0.1457000     -0.2939000    
 C   -1.231900     -0.3004000      0.8133000    
 C   -1.347700       2.440400      0.5241000    
 C    2.549600      -2.281600      0.1829000    
 C    3.672300      -1.531200     -0.1572000    
 C   -2.140700     -0.8168000     -4.3400001E-02
 C   -4.360000     -0.3181000       1.451300    
 C   -3.282700      0.2203000      -2.300100    
 H    3.069700       2.515700     -0.4865000    
 H   0.8406000       3.556900     -0.1051000    
 H   0.4756000      -2.275700      0.6564000    
 H    4.462700      0.4208000     -0.5602000    
 H   -1.391000     -0.3723000       1.887700    
 H   -1.179400       3.520000      0.5823000    
 H   -2.002000       2.233100     -0.3229000    
 H   -1.792400       2.125900       1.472000    
 H    2.629400      -3.359500      0.2898000    
 H    4.626900      -2.024300     -0.3163000    
 H   -4.475200      0.5806000      0.8388000    
 H   -3.775000     -7.7399999E-02   2.342800    
 H   -5.352600     -0.6455000       1.772500    
 H   -3.140600      0.5201000      -3.342000    
 H   -3.406100       1.122900      -1.697900    
 H   -4.195500     -0.3788000      -2.242500    


%chk=000059885-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059885

1 1
S -3.998874 -0.911149 0.125363
S -2.346683 0.432354 -2.084899
N 0.051428 1.925957 -0.071787
C 1.203646 -0.181835 0.317167
C -0.031968 0.568465 0.196575
C 2.477556 0.486811 0.160082
C 2.473913 1.883809 -0.164926
C 1.280081 2.561214 -0.284451
C 1.194742 -1.593529 0.557169
C 3.689850 -0.253162 0.299186
C -1.316397 -0.086835 0.449143
C -1.153250 2.799352 -0.082465
C 2.395689 -2.297431 0.691286
C 3.650003 -1.624278 0.573001
C -2.438189 -0.137541 -0.363439
C -3.761572 -1.219048 1.966843
C -4.144322 0.490805 -2.664810
H 3.412211 2.422477 -0.320101
H 1.226683 3.622827 -0.528993
H 0.243942 -2.130371 0.610492
H 4.648247 0.263859 0.183777
H -1.323385 -0.715057 1.347218
H -0.867309 3.806485 0.254788
H -1.582572 2.844554 -1.097731
H -1.909607 2.385417 0.600409
H 2.378192 -3.376057 0.874963
H 4.580162 -2.190810 0.680416
H -3.441402 -0.294109 2.469483
H -3.047226 -2.038905 2.134376
H -4.755949 -1.517251 2.331740
H -4.095875 0.967489 -3.655518
H -4.752386 1.096350 -1.978111
H -4.544178 -0.528257 -2.757349