%chk=000105531.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105531

0 1
 S    2.063400     -0.8701000      0.4500000    
 O    2.828000     -9.5200002E-02   1.415400    
 O    1.833200      -2.289100      0.6782000    
 O    1.563800       2.079500      9.3800001E-02
 O    5.077700     -0.7302000     -0.1706000    
 O   -4.763400      0.5803000     -0.2914000    
 N   -3.046700      -1.004800      2.3100000E-02
 C   0.5198000     -7.7399999E-02  0.2295000    
 C    2.862900     -0.7201000      -1.130800    
 C   0.4414000       1.307100      7.8699999E-02
 C  -0.6428000     -0.8480000      0.2109000    
 C   -1.883800     -0.2340000      4.1200001E-02
 C    4.236700      -1.361800      -1.127400    
 C  -0.7997000       1.921100     -9.1200002E-02
 C   -1.962400       1.150500     -0.1102000    
 C   -4.369700     -0.5709000     -0.1345000    
 C    1.385200       3.485100     -6.7800000E-02
 C   -5.343700      -1.721700     -9.6900001E-02
 H    2.219900      -1.194400      -1.877800    
 H    2.952800      0.3474000      -1.351000    
 H  -0.5989000      -1.928000      0.3256000    
 H    4.172800      -2.425700     -0.8779000    
 H    4.700500      -1.261100      -2.113600    
 H  -0.9386000       2.989600     -0.2144000    
 H   -2.886200       1.695400     -0.2455000    
 H   -2.906200      -2.006100      0.1400000    
 H    5.941600      -1.174400     -0.2130000    
 H   0.8081000       3.917000      0.7569000    
 H   0.9621000       3.728900      -1.048300    
 H    2.380000       3.941400     -3.0600000E-02
 H   -5.136400      -2.408100     -0.9226000    
 H   -6.365900      -1.345800     -0.1950000    
 H   -5.252100      -2.254700      0.8537000    


%chk=000105531-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105531

0 1
S 2.312266 -0.389427 1.003590
O 2.785579 0.458277 2.307961
O 2.080076 -2.030016 1.142087
O 1.629855 2.373225 -0.117337
O 3.640972 -2.567025 -1.097748
O -4.587804 0.039483 -0.676087
N -2.755252 -1.221179 0.071054
C 0.647031 0.235350 0.336972
C 3.583529 -0.168917 -0.450236
C 0.482375 1.576539 -0.078070
C -0.406753 -0.680433 0.384254
C -1.708060 -0.260524 0.004511
C 3.299939 -1.220731 -1.528302
C -0.820741 1.985828 -0.451712
C -1.904759 1.084934 -0.407761
C -4.105669 -1.052240 -0.251843
C 1.455383 3.814096 -0.348184
C -4.968778 -2.294083 -0.050924
H 3.442810 0.879204 -0.758058
H 4.547723 -0.333959 0.057541
H -0.185900 -1.702163 0.722109
H 2.245411 -1.145636 -1.876018
H 3.951982 -1.002361 -2.393617
H -1.003153 3.012300 -0.783093
H -2.908015 1.405652 -0.694321
H -2.479884 -2.148008 0.403103
H 3.114064 -2.746484 -0.259656
H 0.774225 4.251251 0.404763
H 1.072884 4.009779 -1.367852
H 2.460757 4.243848 -0.236307
H -5.459925 -2.547195 -1.006026
H -5.767527 -2.060986 0.674232
H -4.411239 -3.176699 0.307473


