%chk=000125422.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125422

0 1
 S   -5.064700      0.3488000      -1.588200    
 O   3.0800000E-02  -3.047200      3.9999999E-02
 O    1.886400      -1.891500     -0.1599000    
 N    1.916100      0.6030000     -1.5200000E-02
 N   0.6478000      -1.957200      1.6000001E-02
 N    3.864600      0.8170000      -1.070000    
 N   -3.592800      0.2612000      0.7620000    
 C   0.5476000      0.4936000      0.1770000    
 C  -8.5299999E-02 -0.7493000      0.1946000    
 C  -0.1983000       1.658800      0.3546000    
 C   -1.464400     -0.8271000      0.3898000    
 C   -1.577200       1.581100      0.5497000    
 C   -2.210300      0.3382000      0.5673000    
 C    2.878300      0.6025000      0.9594000    
 C    2.560900      0.7341000      -1.217300    
 C    4.069100      0.7350000      0.2846000    
 C   -4.208700      0.2990000     -0.2442000    
 H   0.2793000       2.635700      0.3440000    
 H   -1.985400      -1.781900      0.4109000    
 H   -2.148100       2.495700      0.6891000    
 H    2.644300      0.5112000       2.011600    
 H    2.033100      0.7637000      -2.161600    
 H    5.063200      0.7758000      0.7054000    


%chk=000125422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125422

0 1
S -6.410657 0.217511 0.127351
O -0.065276 -3.140995 -0.038010
O 1.954231 -2.092002 -0.023789
N 2.073853 0.634689 0.029518
N 0.671112 -2.080297 -0.009175
N 4.158696 0.953056 -0.795556
N -3.580907 0.323255 0.108400
C 0.650580 0.488947 0.061939
C -0.040632 -0.756662 0.041102
C -0.132845 1.671093 0.090797
C -1.447242 -0.818548 0.058736
C -1.535575 1.633107 0.105020
C -2.207976 0.377101 0.091426
C 2.952893 0.567886 1.124593
C 2.858982 0.861223 -1.112629
C 4.227044 0.772486 0.596014
C -4.788680 0.275997 0.116939
H 0.392840 2.630594 0.106530
H -1.933703 -1.796780 0.041855
H -2.120800 2.557002 0.130556
H 2.601099 0.378889 2.134713
H 2.431537 0.938096 -2.109227
H 5.177725 0.804552 1.122500


