%chk=000085467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085467

0 1
 S    2.223500      -1.183900      0.9406000    
 O    1.269400     -0.4465000     -0.1675000    
 O   -2.468100      -3.310200     -0.5828000    
 O   -2.772100       2.649400      0.2042000    
 O   -4.818000      -2.240700     -0.4667000    
 O    2.203100      -2.615900      0.7122000    
 O    1.927200     -0.6137000       2.241700    
 O    7.680300      0.5623000     -0.4553000    
 N  -0.3254000       1.782800      0.1109000    
 C   -2.319400      0.3416000     -9.8600000E-02
 C   -2.857700     -0.9350000     -0.2732000    
 C   -4.668500       1.317800      7.6000001E-03
 C   -5.206900      4.1000001E-02 -0.1671000    
 C  -0.9306000      0.5147000     -6.1999999E-02
 C   -3.205000       1.514600      4.8000000E-02
 C   -4.321100      -1.131900     -0.3136000    
 C  -8.6700000E-02 -0.5879000     -0.1997000    
 C   -2.007300      -2.038700     -0.4109000    
 C  -0.6239000      -1.861800     -0.3737000    
 C   -5.518900       2.421400      0.1453000    
 C   -6.595700     -0.1320000     -0.2040000    
 C   -6.902300       2.244500      0.1077000    
 C    3.858600     -0.6607000      0.5220000    
 C   -7.439600      0.9704000     -6.6500001E-02
 C    4.367700      0.4919000       1.096000    
 C    4.601400      -1.412300     -0.3724000    
 C    6.420500      0.1596000     -0.1336000    
 C    5.658300      0.9051000      0.7656000    
 C    5.892100     -0.9992000     -0.7026000    
 C    7.942200       1.964400     -0.4213000    
 C    9.023000       2.288800      -1.430400    
 H   2.8000001E-02  -2.719500     -0.5092000    
 H   -5.127600       3.425900      0.2823000    
 H   -7.041000      -1.114200     -0.3386000    
 H   -7.561600       3.101000      0.2144000    
 H   -8.517000      0.8355000     -9.5399998E-02
 H   0.6838000       1.853400      0.1354000    
 H  -0.8841000       2.616800      0.2190000    
 H    3.789700       1.087500       1.796000    
 H    4.206300      -2.311900     -0.8341000    
 H   -1.717400      -3.924100     -0.6534000    
 H    6.041100       1.798200       1.250600    
 H    6.480600      -1.582700      -1.405400    
 H    7.055200       2.552100     -0.6895000    
 H    8.277600       2.243700      0.5836000    
 H    9.257400       3.357100      -1.423800    
 H    9.936500       1.725900      -1.211200    
 H    8.707600       2.002400      -2.439100    


%chk=000085467-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085467

0 1
S 2.282345 -0.199043 1.476031
O 1.036117 0.626331 -0.308649
O -2.079264 -3.020515 -0.938875
O -3.541993 2.762832 0.484945
O -4.647638 -2.457067 -0.939737
O 1.848624 -1.787378 1.402868
O 2.313118 0.577174 2.926726
O 7.755976 0.319647 -1.034878
N -0.993523 2.333331 0.284378
C -2.677905 0.585269 -0.122462
C -2.941340 -0.788198 -0.457981
C -5.172456 1.043915 0.100761
C -5.448834 -0.303544 -0.256388
C -1.318172 1.059951 -0.043858
C -3.774494 1.531498 0.168878
C -4.352021 -1.274450 -0.574513
C -0.202140 0.144732 -0.337736
C -1.827436 -1.678027 -0.678121
C -0.500559 -1.209981 -0.630348
C -6.238011 1.933944 0.391547
C -6.793098 -0.748063 -0.319990
C -7.570073 1.483731 0.328351
C 3.984640 -0.024200 0.721307
C -7.848023 0.138233 -0.028629
C 4.827914 0.983851 1.215951
C 4.357427 -0.889165 -0.327692
C 6.515823 0.265714 -0.403710
C 6.113364 1.127176 0.652627
C 5.636858 -0.742706 -0.887064
C 8.732051 1.341519 -0.585975
C 9.977742 1.166824 -1.448331
H 0.343890 -1.888876 -0.792645
H -5.991616 2.965083 0.661946
H -6.977773 -1.789940 -0.599234
H -8.392514 2.170869 0.553882
H -8.885042 -0.210874 -0.076994
H 0.001488 2.572398 0.319719
H -1.776338 2.980238 0.489610
H 4.496711 1.623819 2.040101
H 3.675215 -1.669342 -0.677342
H -1.224090 -3.521819 -0.994118
H 6.781857 1.899261 1.042307
H 5.980957 -1.394462 -1.695032
H 8.287192 2.349052 -0.714094
H 8.955817 1.181561 0.488125
H 10.744479 1.907339 -1.157276
H 10.402044 0.156523 -1.321847
H 9.737902 1.312839 -2.515043


