%chk=000115415.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115415

0 1
 S   0.8825000       2.147000     -0.6240000    
 O   -2.929700      -1.265700      -1.145200    
 N    3.087900      -1.126800      0.4070000    
 C    2.028600      0.7364000     -0.8300000    
 C    2.192100      2.2100000E-02  0.5175000    
 C    3.349700       1.258900      -1.390800    
 C    2.544900      -2.112200     -0.5281000    
 C    3.305600      -1.735300       1.719500    
 C  -0.5851000       1.311700     -3.9999999E-02
 C   -1.189800      0.3384000     -0.8312000    
 C   -1.118200       1.637100       1.204600    
 C   -2.335400     -0.3138000     -0.3749000    
 C   -2.263700      0.9849000       1.661100    
 C   -2.872200      9.4999997E-03  0.8713000    
 C   -4.097500      -1.892300     -0.6170000    
 H    1.574500      8.4299996E-02  -1.581000    
 H    1.229400     -0.3142000      0.9195000    
 H    2.612700      0.7300000       1.245100    
 H    4.040100      0.4372000      -1.608600    
 H    3.850500       1.933000     -0.6865000    
 H    3.196200       1.800500      -2.331300    
 H    2.589100      -1.764800      -1.564400    
 H    1.512800      -2.393200     -0.2879000    
 H    3.150400      -3.026700     -0.5104000    
 H    4.019100      -2.563700       1.646500    
 H    2.376800      -2.117600       2.158500    
 H    3.742500      -1.009000       2.414100    
 H  -0.7910000      8.0499999E-02  -1.809300    
 H  -0.6565000       2.393800       1.833900    
 H   -2.680600       1.237100       2.631800    
 H   -3.758600     -0.4573000       1.286900    
 H   -4.912200      -1.173500     -0.4785000    
 H   -3.875600      -2.450000      0.2991000    
 H   -4.437400      -2.621000      -1.360200    


%chk=000115415-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115415

0 1
S 0.872884 2.190295 -0.261279
O -2.957022 -1.181494 -1.335987
N 3.150648 -1.282125 0.320283
C 2.035373 0.720864 -0.682576
C 2.414342 -0.027839 0.616124
C 3.254004 1.292299 -1.421407
C 2.257791 -2.409716 -0.015457
C 4.136732 -1.645090 1.357306
C -0.692968 1.311951 0.160020
C -1.264561 0.374354 -0.723892
C -1.354451 1.650104 1.369186
C -2.490300 -0.253348 -0.389942
C -2.587869 1.037554 1.675622
C -3.165718 0.077724 0.811691
C -4.242317 -1.830811 -1.068791
H 1.459636 0.060082 -1.353510
H 1.494583 -0.216512 1.220601
H 3.066116 0.634804 1.216018
H 3.978744 0.474606 -1.583506
H 3.749341 2.080568 -0.823605
H 2.971625 1.724002 -2.397154
H 1.564275 -2.122690 -0.824801
H 1.641767 -2.752276 0.854326
H 2.856920 -3.266677 -0.372700
H 4.719225 -2.523325 1.023065
H 3.675116 -1.898474 2.345487
H 4.841550 -0.809340 1.512864
H -0.799785 0.127990 -1.683326
H -0.902250 2.373072 2.054555
H -3.103033 1.298820 2.606864
H -4.117434 -0.390603 1.079019
H -5.062523 -1.089521 -1.003763
H -4.206976 -2.427501 -0.136367
H -4.411566 -2.496448 -1.927868


