%chk=000135743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135743

0 1
 S   -4.277200      0.4316000     -0.5889000    
 S   0.2945000      -2.610100       1.254800    
 O   -3.844600      -1.133900     -0.4083000    
 O  -0.7726000      -2.651700      1.8200001E-02
 O   -5.228700      0.7827000      0.4471000    
 O   -4.568800      0.6543000      -1.992500    
 O   0.7588000      -3.956700       1.525600    
 O  -0.2683000      -1.778100       2.301600    
 O    1.509300       3.741000     -0.2684000    
 O    5.038300       1.579200     -0.8624000    
 O   0.9277000       3.825200       1.846800    
 O    5.903400     -0.3197000      -1.544000    
 N   0.7106000       3.473300      0.6620000    
 N    4.992500      0.3303000     -0.9761000    
 C   -2.853000      -3.212400      -1.057400    
 C   -3.138200      -1.775300      -1.461100    
 C   -2.025400      -3.293000      0.2158000    
 C   -2.803600       1.330400     -0.2192000    
 C    1.682700      -1.741500      0.5958000    
 C   -1.901600       1.639600      -1.237300    
 C    1.755300     -0.3533000      0.7109000    
 C   -2.541300       1.731400       1.090700    
 C    2.706900      -2.443300     -3.9999999E-02
 C  -0.7372000       2.349900     -0.9452000    
 C    2.852100      0.3331000      0.1903000    
 C   -1.376800       2.441500       1.382700    
 C    3.803700      -1.756800     -0.5608000    
 C  -0.4748000       2.750900      0.3648000    
 C    3.876400     -0.3686000     -0.4456000    
 H   -3.797400      -3.744000     -0.8936000    
 H   -2.320300      -3.707700      -1.877100    
 H   -3.752800      -1.774600      -2.367900    
 H   -2.206800      -1.240900      -1.671600    
 H   -2.548900      -2.824800       1.056600    
 H   -1.850000      -4.344600      0.4681000    
 H   -2.082500       1.333100      -2.263600    
 H   0.9702000      0.2090000       1.205800    
 H   -3.224800       1.493800       1.900900    
 H    2.667500      -3.523500     -0.1485000    
 H  -5.5900000E-02   2.571000      -1.762900    
 H    2.884000       1.412000      0.3054000    
 H   -1.203700       2.735100       2.414800    
 H    4.581900      -2.335800      -1.051400    


%chk=000135743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135743

0 1
S -4.636903 0.455555 -1.095161
S 0.515935 -1.568215 1.391607
O -4.136268 -1.304656 -0.677004
O -0.602831 -2.014863 -0.037484
O -6.022204 0.677317 -0.305627
O -4.465050 0.699043 -2.689228
O 0.688265 -2.893571 2.305980
O 0.025806 -0.169615 2.043585
O 1.202125 3.034913 1.160892
O 5.966778 0.621234 -2.053010
O -0.076211 3.443549 3.004875
O 6.275612 -1.632765 -2.231982
N 0.075689 3.025384 1.800064
N 5.620162 -0.598952 -1.828411
C -2.578933 -3.113951 -0.875181
C -3.135837 -1.883001 -1.608034
C -1.812453 -2.769777 0.408652
C -3.235705 1.352531 -0.207731
C 2.072491 -1.263570 0.378153
C -2.133443 1.751328 -0.982003
C 2.459512 0.067072 0.152389
C -3.336869 1.533832 1.182313
C 2.787229 -2.388707 -0.067661
C -1.037084 2.326911 -0.310445
C 3.645503 0.284639 -0.581005
C -2.244419 2.125370 1.847028
C 3.969217 -2.165116 -0.802075
C -1.107856 2.481297 1.089747
C 4.369140 -0.832880 -1.048141
H -3.413855 -3.787796 -0.605242
H -1.917354 -3.663799 -1.571318
H -3.626073 -2.168311 -2.555024
H -2.321831 -1.161069 -1.812458
H -2.426085 -2.134970 1.072705
H -1.497124 -3.685736 0.940340
H -2.140059 1.622743 -2.068757
H 1.882881 0.909474 0.550026
H -4.234939 1.221219 1.723602
H 2.445234 -3.401475 0.164075
H -0.140658 2.642958 -0.849635
H 4.010231 1.294078 -0.786209
H -2.247100 2.281770 2.928289
H 4.575932 -2.991324 -1.180600


