%chk=000135948.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135948

0 1
 S   -4.338100     -0.1537000      0.2514000    
 O    3.725900      0.8006000     -0.4293000    
 O    5.664300     -0.6999000       1.000300    
 O    2.123900       2.335700      4.0600002E-02
 O   -4.664900      -1.528000      0.6268000    
 O   -4.681200      0.9513000       1.142600    
 N    1.594800      6.1900001E-02 -0.3445000    
 N   -5.067500      0.1492000      -1.278300    
 C    3.798100     -0.6308000     -0.4899000    
 C    2.376700      -1.066400     -0.7741000    
 C   0.1788000      1.0400000E-02 -0.2026000    
 C    4.331600      -1.152800      0.8370000    
 C    2.419800       1.175200     -0.2065000    
 C  -0.5401000       1.168000      0.1106000    
 C  -0.5030000      -1.198400     -0.3751000    
 C   -2.602100     -9.0800002E-02  7.6700002E-02
 C   -1.927000       1.117600      0.2501000    
 C   -1.890000      -1.248900     -0.2358000    
 H    4.471300     -0.9091000      -1.308100    
 H    2.217100      -1.198800      -1.850300    
 H    2.122000      -1.989000     -0.2447000    
 H    4.327300      -2.246700      0.8713000    
 H    3.750900     -0.7712000       1.682800    
 H  -8.0499999E-02   2.136200      0.2571000    
 H   6.8999999E-03  -2.122300     -0.6288000    
 H   -2.460700       2.034300      0.4850000    
 H   -2.394900      -2.199100     -0.3854000    
 H    6.193300      -1.070200      0.2732000    
 H   -5.598500       1.027800      -1.348300    
 H   -4.455700      3.0400001E-02  -2.097300    


%chk=000135948-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135948

0 1
S -4.508204 -0.069157 -0.006055
O 3.746960 0.837746 0.156399
O 6.201534 -0.949175 0.362191
O 2.059023 2.400283 0.536553
O -4.935228 -1.604045 0.338478
O -5.046271 1.226046 0.822113
N 1.576569 0.124702 -0.044791
N -4.977684 0.188143 -1.771988
C 3.826606 -0.564220 -0.342755
C 2.370819 -1.100954 -0.255333
C 0.155983 0.108032 -0.029086
C 4.817191 -1.380775 0.495022
C 2.395507 1.241067 0.243873
C -0.601192 1.299930 0.168735
C -0.520130 -1.133315 -0.209742
C -2.636130 0.007235 -0.030255
C -2.007201 1.246509 0.168260
C -1.926741 -1.187440 -0.214211
H 4.167518 -0.498876 -1.394670
H 2.076661 -1.616704 -1.185724
H 2.241923 -1.802738 0.593327
H 4.695986 -2.454169 0.220218
H 4.582853 -1.261427 1.565775
H -0.085862 2.247968 0.331327
H 0.037481 -2.064382 -0.339264
H -2.601334 2.148808 0.343907
H -2.459377 -2.136396 -0.330895
H 6.486923 -1.003026 -0.585167
H -5.476887 1.090970 -1.841894
H -5.558796 -0.618140 -2.057844


