%chk=000080961.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080961

0 1
 S    2.375300     -0.6970000     -6.7100003E-02
 O   -2.649300      -1.334100      0.4042000    
 O    3.086600     -0.2167000       1.323200    
 O    2.283500      -2.147700     -2.0700000E-02
 O    3.041300     -2.7899999E-02  -1.172300    
 N   -3.181200       1.420300      0.1886000    
 C   0.7492000     -5.4099999E-02  7.1999999E-03
 C   0.5079000       1.315300     -0.1023000    
 C  -0.3158000     -0.9385000      0.1777000    
 C  -0.7986000       1.800200     -4.1700002E-02
 C   -1.622200     -0.4536000      0.2383000    
 C   -1.863700      0.9158000      0.1286000    
 C    1.625700       2.289100     -0.2858000    
 C   -3.238900      -1.871200     -0.7778000    
 H  -0.1548000      -2.009100      0.2686000    
 H  -0.9914000       2.867200     -0.1288000    
 H    2.438400       2.125000      0.4268000    
 H    2.005300       2.257200      -1.311400    
 H    1.282800       3.315700     -0.1090000    
 H   -3.347500       2.414800      0.1107000    
 H   -3.957500      0.7873000      0.3272000    
 H    2.666800     -0.5508000       2.150500    
 H   -4.064000      -2.525000     -0.4821000    
 H   -2.505900      -2.463700      -1.334400    
 H   -3.635700      -1.073300      -1.413300    


%chk=000080961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080961

0 1
S 2.159353 -0.794890 -0.336138
O -3.088664 -0.879241 -0.238740
O 2.748652 -0.533242 1.424270
O 1.886066 -2.375498 -0.568239
O 3.230602 -0.040473 -1.293589
N -3.284222 1.762045 0.049211
C 0.531802 0.080634 -0.188815
C 0.465871 1.484036 -0.026237
C -0.597549 -0.766559 -0.254379
C -0.836407 2.031782 0.049434
C -1.867179 -0.186298 -0.177910
C -2.008954 1.234101 -0.022366
C 1.685747 2.378562 0.078860
C -3.024350 -2.335276 -0.399147
H -0.449569 -1.844275 -0.370120
H -0.940927 3.115976 0.173068
H 2.306157 2.090577 0.946910
H 2.327545 2.289914 -0.814903
H 1.384641 3.432120 0.197350
H -3.438046 2.759895 0.156548
H -4.080147 1.130729 -0.006506
H 3.712249 -0.806150 1.442295
H -4.070487 -2.672381 -0.427781
H -2.500753 -2.804537 0.455279
H -2.515132 -2.606350 -1.343455


