%chk=000088589.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088589

0 1
 S    2.971200      0.9227000     -7.5700000E-02
 O    2.910100       1.623000       1.397100    
 O    4.249100      0.2401000     -0.1760000    
 O    2.564200       1.902200      -1.066200    
 O   -2.869800      -1.655700      3.8899999E-02
 N   -3.742900      0.9427000      1.0300000E-02
 N   -4.793900       1.214000      2.0199999E-02
 C   0.3457000      6.0000001E-03 -2.9300001E-02
 C    1.714900     -0.3059000     -4.2300001E-02
 C  -0.6031000      -1.043700     -3.9999999E-04
 C  -0.1031000       1.336800     -4.4100001E-02
 C    2.142500      -1.633800     -2.7100001E-02
 C  -0.1546000      -2.374500      1.4000000E-02
 C   -1.972400     -0.7319000      1.2600000E-02
 C    1.209700      -2.666100      7.9999998E-04
 C   -2.400400      0.5959000     -2.2000000E-03
 C   -1.467500       1.628100     -3.0500000E-02
 H   0.5554000       2.195800     -1.6700000E-02
 H    3.193400      -1.906600     -3.3000000E-02
 H  -0.8388000      -3.219800      3.6100000E-02
 H    1.543400      -3.699700      1.3300000E-02
 H   -1.792000       2.665600     -3.1599998E-02
 H    3.095300       1.024700       2.158700    


%chk=000088589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088589

0 1
S 3.089381 0.840960 -0.028651
O 2.844783 1.367126 1.738238
O 4.499403 0.060012 -0.167834
O 2.802645 2.129277 -0.967402
O -2.990979 -1.722233 -0.013352
N -3.764118 0.931056 0.014996
N -4.937449 0.988309 0.027374
C 0.319765 -0.003222 -0.025997
C 1.681655 -0.418312 -0.030465
C -0.645793 -1.074725 -0.028708
C -0.117587 1.381787 -0.017646
C 2.111762 -1.748582 -0.037021
C -0.229701 -2.431578 -0.038901
C -2.109968 -0.803410 -0.014383
C 1.132448 -2.773392 -0.046718
C -2.454020 0.649167 -0.000270
C -1.458485 1.694996 -0.003944
H 0.625007 2.181772 -0.038447
H 3.182645 -1.977182 -0.038978
H -1.009404 -3.199665 -0.041276
H 1.444242 -3.821649 -0.055634
H -1.788172 2.738474 0.001359
H 3.528343 2.070916 1.940560


