%chk=000076327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076327

0 1
 S  -0.9801000      0.2784000      -1.450500    
 S   -1.615000       1.335100       1.848700    
 P   -2.006700      7.4800000E-02  0.4008000    
 O   -1.871900      -1.466800      0.9163000    
 C   -3.764000      0.1430000     -5.4299999E-02
 C   0.6812000      0.1899000     -0.8119000    
 C   -4.171900       1.502900     -0.5804000    
 C    3.282300      5.1300000E-02  0.1870000    
 C    1.320600      -1.044800     -0.7000000    
 C    1.342500       1.355400     -0.4245000    
 C    2.621100      -1.114100     -0.2003000    
 C    2.643100       1.286000      7.5000003E-02
 C    4.672400     -2.2700001E-02  0.7220000    
 C   -2.153500      -2.568600      7.1999997E-02
 H   -3.969000     -0.6095000     -0.8227000    
 H   -4.370700     -0.1126000      0.8214000    
 H   -5.227300       1.492200     -0.8709000    
 H   -4.044300       2.282300      0.1757000    
 H   -3.586000       1.788400      -1.458100    
 H   0.8231000      -1.964100     -0.9982000    
 H   0.8634000       2.327700     -0.5091000    
 H    3.107900      -2.082100     -0.1161000    
 H    3.147500       2.200900      0.3745000    
 H    4.650200     -0.1454000       1.809300    
 H    5.219800     -0.8647000      0.2849000    
 H    5.236800      0.8849000      0.4825000    
 H   -1.763100      -2.420900     -0.9357000    
 H   -3.233100      -2.731900      3.0500000E-02
 H   -1.684100      -3.458600      0.4991000    


%chk=000076327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076327

0 1
S -0.932115 -0.311636 -1.437927
S -1.451123 0.931072 2.106397
P -2.197382 -0.213814 0.564871
O -2.443271 -1.879390 1.087902
C -3.869188 0.311185 -0.138755
C 0.764245 -0.110325 -0.773734
C -3.889275 1.793959 -0.549969
C 3.442603 0.217004 0.133081
C 1.627149 -1.229659 -0.698716
C 1.228956 1.170010 -0.390303
C 2.955893 -1.059332 -0.255786
C 2.558708 1.324149 0.057835
C 4.861909 0.387142 0.644102
C -2.736610 -2.918691 0.081003
H -4.082067 -0.352246 -0.996863
H -4.602293 0.098023 0.660189
H -4.889431 2.057455 -0.938496
H -3.669050 2.445327 0.313559
H -3.145655 2.001750 -1.339435
H 1.260997 -2.219689 -0.989097
H 0.556723 2.031210 -0.443929
H 3.621732 -1.929283 -0.207061
H 2.911726 2.318830 0.354758
H 4.899982 0.268389 1.744503
H 5.544203 -0.364062 0.209163
H 5.259918 1.390005 0.409640
H -2.002799 -2.885901 -0.746285
H -3.762913 -2.815224 -0.321734
H -2.650372 -3.869857 0.628088


