%chk=000082540.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082540

0 1
 S    4.107000       1.060600     -3.0999999E-02
 O    5.186200      0.5666000     -0.8721000    
 O    3.526400       2.369700     -0.2875000    
 O   -4.712200     -6.9399998E-02   1.898700    
 O   -2.577400      0.4043000       2.518500    
 N  -0.8448000     -0.3713000      0.4879000    
 N    4.599200      0.9867000       1.602700    
 C   0.4878000     -0.7314000      0.2159000    
 C    1.498700      0.2348000      0.2301000    
 C    2.819100     -0.1248000     -4.0600002E-02
 C   0.8110000      -2.061300     -7.2200000E-02
 C    3.135200      -1.452800     -0.3274000    
 C    2.131200      -2.420900     -0.3433000    
 C    1.156000       1.659500      0.5367000    
 C   -1.907700      5.3599998E-02 -0.3399000    
 C  -0.2426000      -3.121000     -9.7099997E-02
 C   -3.159000      0.3537000      0.1984000    
 C   -1.692800      0.1714000      -1.713100    
 C   -4.195600      0.7715000     -0.6363000    
 C   -2.729200      0.5895000      -2.547800    
 C   -3.980600      0.8894000      -2.009500    
 C   -3.415900      0.2414000       1.628700    
 H    4.156400      -1.760600     -0.5343000    
 H   -1.081600     -0.4889000       1.467700    
 H    2.395100      -3.451000     -0.5680000    
 H    1.812200       2.080600       1.304900    
 H    1.148200       2.266200     -0.3740000    
 H   0.1586000       1.766400      0.9762000    
 H  -0.9260000      -2.960400     -0.9369000    
 H   0.1898000      -4.121200     -0.2104000    
 H  -0.8119000      -3.124000      0.8385000    
 H  -0.7290000     -5.4800000E-02  -2.161000    
 H    5.509000      0.5558000       1.807900    
 H    4.372700       1.786700       2.206000    
 H   -5.178000       1.026100     -0.2473000    
 H   -2.561900      0.6823000      -3.616900    
 H   -4.786400       1.217800      -2.659500    
 H   -4.877100     -0.1424000       2.863000    


%chk=000082540-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082540

0 1
S 4.072066 0.985404 -0.393173
O 5.423642 0.165006 -0.793195
O 3.540913 2.212707 -1.320124
O -4.983866 0.022354 1.757954
O -2.993580 -1.059484 2.215951
N -0.946618 -0.675999 0.550408
N 4.276522 1.744058 1.284659
C 0.425931 -0.957318 0.272872
C 1.387777 0.100843 0.186856
C 2.710072 -0.303621 -0.107295
C 0.812186 -2.330668 0.155432
C 3.131661 -1.632496 -0.258525
C 2.166079 -2.647092 -0.099778
C 1.017068 1.543767 0.455031
C -1.818523 0.059804 -0.249057
C -0.223397 -3.429086 0.290623
C -3.183408 0.278637 0.179599
C -1.414238 0.596206 -1.510185
C -4.066167 1.042394 -0.638215
C -2.309477 1.338144 -2.294377
C -3.642601 1.577633 -1.862251
C -3.662077 -0.304097 1.435922
H 4.175713 -1.852633 -0.502285
H -1.398752 -1.118544 1.372253
H 2.463153 -3.696179 -0.201433
H 1.788462 2.018364 1.086050
H 0.954780 2.128482 -0.479642
H 0.046678 1.603830 0.969887
H -1.097863 -3.235918 -0.356427
H 0.202798 -4.409394 0.020944
H -0.607005 -3.504665 1.326337
H -0.398750 0.409651 -1.870315
H 4.993473 1.210647 1.806057
H 4.551117 2.730497 1.131992
H -5.089696 1.193736 -0.284445
H -1.969385 1.733647 -3.258164
H -4.329556 2.162627 -2.480836
H -5.215031 -0.422844 2.616596


