%chk=000071447.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071447

0 1
 S   0.6547000       3.114500       1.277800    
 O   0.2628000     -0.5845000      -1.083500    
 O   -2.939900      0.6759000     -6.0199998E-02
 O   -3.304700       2.481500      -1.454200    
 O    3.165900      -1.276600     -0.1970000    
 O   -4.549300     -0.1686000      -1.603800    
 O   -5.189800      -2.103500      -2.699800    
 N  -0.6259000       1.050100      0.3686000    
 N    2.505700      0.7134000      0.7934000    
 N    4.689900       1.282900      -1.358500    
 C   0.1488000       1.380100       1.568600    
 C   -1.149700       2.126200     -0.4480000    
 C  -0.9027000       3.447300      0.3117000    
 C    1.143600      0.2899000       1.147300    
 C   0.2197000      7.1400002E-02 -6.7400001E-02
 C  -0.6510000       4.607100     -0.6535000    
 C   -2.006100       3.823900       1.309800    
 C   -2.583700       1.809000     -0.7297000    
 C    3.416400     -0.1205000      0.1400000    
 C    4.768900      0.5431000     -9.5600002E-02
 C   -4.295800      0.2553000     -0.2412000    
 C   -4.560300     -0.9775000      0.5303000    
 C    5.881500     -0.4845000     -9.7499996E-02
 C   -4.930000      -1.993300     -0.3281000    
 C   -4.920500      -1.484500      -1.689900    
 C   -4.494400      -1.203600       1.893800    
 C    6.513500     -0.7965000       1.093000    
 C    6.240700      -1.087500      -1.289700    
 C   -5.244000      -3.266400      0.1108000    
 C   -4.805600      -2.480900       2.370100    
 C   -5.177700      -3.505900       1.483700    
 C    7.538600      -1.742600       1.091200    
 C    7.265700      -2.033600      -1.291500    
 C    7.914500      -2.361100     -0.1010000    
 H  -0.4041000       1.193800       2.493900    
 H  -0.6121000       2.099500      -1.405100    
 H    1.158300     -0.5712000       1.826000    
 H  -0.4058000       5.532000     -0.1186000    
 H   0.1717000       4.391100      -1.345100    
 H   -1.541900       4.806700      -1.259700    
 H   -1.722300       4.695700       1.911300    
 H   -2.933800       4.088700      0.7902000    
 H   -2.241000       3.004000       1.997900    
 H    2.809300       1.655600       1.027200    
 H    4.961800       1.269600      0.7040000    
 H   -4.999000       1.052700      2.7100001E-02
 H    3.955500       1.987600      -1.293600    
 H    5.557100       1.799300      -1.504400    
 H   -4.208400     -0.4142000       2.580500    
 H    6.225900     -0.3217000       2.026400    
 H    5.743100     -0.8680000      -2.229300    
 H   -5.531600      -4.053500     -0.5767000    
 H   -4.760100      -2.684200       3.436600    
 H   -5.416200      -4.492000       1.872800    
 H    8.043300      -1.998300       2.018300    
 H    7.555800      -2.518700      -2.219000    
 H    8.711700      -3.098700     -0.1022000    


%chk=000071447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071447

0 1
S 1.411100 0.734915 1.432349
O 0.742576 2.118032 -2.571931
O -2.922554 0.887802 0.031265
O -2.942629 3.157316 0.620674
O 3.157859 -2.083739 -2.445603
O -4.856327 0.895352 -1.379301
O -5.933500 -0.588271 -2.849255
N -0.250692 1.011968 -0.643046
N 2.836204 -0.068163 -1.327259
N 5.827542 -2.073482 -1.908592
C 0.555561 -0.088281 -0.056000
C -0.789175 2.045696 0.236683
C -0.176490 1.836068 1.704269
C 1.399198 -0.130876 -1.388817
C 0.632209 1.198331 -1.747185
C 0.255031 3.185057 2.306779
C -1.121761 1.067028 2.654229
C -2.316558 2.125824 0.302650
C 3.633416 -1.045220 -1.896488
C 5.166937 -0.766965 -1.891112
C -4.403873 0.862098 0.018015
C -4.877710 -0.466505 0.565637
C 5.622743 0.108545 -0.718324
C -5.512448 -1.178780 -0.472134
C -5.497146 -0.362101 -1.715424
C -4.755968 -1.016549 1.851782
C 5.718988 1.515624 -0.866822
C 5.931704 -0.477149 0.534810
C -6.051198 -2.463043 -0.268477
C -5.298573 -2.307574 2.070731
C -5.938381 -3.023204 1.024804
C 6.103012 2.329108 0.225025
C 6.315834 0.333690 1.624389
C 6.399493 1.739461 1.475104
H 0.013194 -0.992473 0.249854
H -0.457334 3.030659 -0.144221
H 1.122393 -0.984822 -2.031298
H 0.687997 3.047305 3.313027
H 1.004606 3.687525 1.671606
H -0.625463 3.848155 2.401083
H -0.598157 0.856343 3.601265
H -2.017273 1.675863 2.888050
H -1.447128 0.106434 2.219462
H 3.281574 0.703927 -0.821836
H 5.327581 -0.172766 -2.828274
H -4.777015 1.773094 0.517225
H 5.269750 -2.791880 -2.383086
H 6.812925 -2.052300 -2.177322
H -4.259557 -0.474088 2.663138
H 5.508709 1.975565 -1.841592
H 5.882617 -1.567953 0.618901
H -6.540243 -2.997696 -1.088711
H -5.223419 -2.762700 3.064156
H -6.348059 -4.018500 1.225701
H 6.178976 3.414707 0.096709
H 6.553595 -0.127197 2.590008
H 6.702306 2.366585 2.321231


