%chk=000095822.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095822

0 1
 S   -1.280900       1.527500     -6.8499997E-02
 O  -0.8523000       1.692900      -1.444400    
 O   -1.525300       2.689400      0.7643000    
 O    7.341500      0.6499000     -0.6197000    
 O    6.779300      -1.220900      0.5382000    
 N  -0.2024000      0.4902000      0.7374000    
 C    1.516700      -1.245100      0.5464000    
 C    2.575100     -0.2845000     -1.1000000E-03
 C   9.1700003E-02 -0.8481000      0.1783000    
 C    4.008600     -0.7248000      0.3016000    
 C    5.025100      0.2288000     -0.3262000    
 C   -2.769000      0.5735000     -7.1900003E-02
 C   -3.655400      0.6999000      0.9836000    
 C   -3.020300     -0.2821000      -1.130500    
 C    6.447400     -0.2153000     -7.3700003E-02
 C   -5.099400     -0.9201000     -7.8100003E-02
 C   -4.829800     -5.2800000E-02  0.9804000    
 C   -4.194700      -1.034700      -1.133700    
 C   -6.355500      -1.723800     -8.2400002E-02
 H    1.612900      -1.297300       1.638200    
 H    1.708900      -2.254100      0.1623000    
 H    2.447700     -0.1988000      -1.087700    
 H    2.420200      0.7182000      0.4153000    
 H  -1.4400000E-02 -0.8456000     -0.9108000    
 H  -0.6137000      -1.571500      0.5994000    
 H    4.169100      -1.739800     -8.2800001E-02
 H    4.160300     -0.7707000       1.387100    
 H  -0.1100000      0.5769000       1.757300    
 H    4.873100      0.2741000      -1.410400    
 H    4.900400       1.232600      9.4599999E-02
 H   -3.460100       1.362800       1.820600    
 H   -2.327900     -0.3876000      -1.959800    
 H   -5.525300      4.2599998E-02   1.810100    
 H   -4.392700      -1.708600      -1.963100    
 H   -6.187200      -2.686400      0.4106000    
 H   -7.162800      -1.198700      0.4395000    
 H   -6.702700      -1.908900      -1.104600    
 H    8.267300      0.3673000     -0.4607000    


%chk=000095822-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095822

0 1
S -1.373904 1.439576 -0.209986
O -0.962195 1.496883 -1.780891
O -1.520112 2.746376 0.744298
O 7.661051 0.740526 -0.332198
O 7.036003 -1.073153 0.973925
N -0.051841 0.441592 0.582205
C 1.720167 -1.263867 0.354713
C 2.812557 -0.306656 -0.166166
C 0.290744 -0.846433 -0.063452
C 4.224914 -0.718632 0.301315
C 5.307989 0.236023 -0.235273
C -3.012508 0.485073 -0.108492
C -3.838887 0.699896 1.006863
C -3.349958 -0.376480 -1.164868
C 6.706544 -0.133944 0.216712
C -5.440726 -0.907511 0.035190
C -5.059969 -0.007329 1.066628
C -4.575684 -1.073358 -1.079526
C -6.743338 -1.680976 0.126012
H 1.777917 -1.335155 1.460538
H 1.896179 -2.287770 -0.034025
H 2.776435 -0.286417 -1.275253
H 2.578410 0.720502 0.172357
H 0.265441 -0.676490 -1.156090
H -0.432536 -1.655110 0.181724
H 4.450759 -1.751523 -0.028035
H 4.267659 -0.734665 1.407519
H -0.234380 0.414442 1.598722
H 5.304197 0.264984 -1.342544
H 5.112432 1.278067 0.086566
H -3.552380 1.422763 1.778091
H -2.693944 -0.468025 -2.036737
H -5.729524 0.149767 1.920088
H -4.868212 -1.746014 -1.894031
H -6.585479 -2.661312 0.616049
H -7.498468 -1.136111 0.718363
H -7.168148 -1.879346 -0.873229
H 8.566295 0.476209 -0.011981


