%chk=000178605.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178605

0 1
 S   0.7696000      -1.692600      0.5843000    
 P  -6.6500001E-02 -0.3710000     -0.8068000    
 O   2.9800000E-02  -2.949700      0.2339000    
 N   -1.646100     -0.2698000     -0.1484000    
 N   0.7158000       1.070600     -0.3415000    
 C   -2.444000      0.8759000     -0.6149000    
 C   -2.418300      -1.520300     -0.2276000    
 C   0.8337000       1.308800       1.106100    
 C   0.3552000       2.280700      -1.078800    
 C   -3.739700       1.026300      0.1856000    
 C   -3.713300      -1.438300      0.5839000    
 C    1.150700       2.763100       1.483100    
 C    1.453800       3.343300     -0.9434000    
 C   -4.565300     -0.2524000      0.1527000    
 C    2.065500       3.410900      0.4565000    
 C    2.459800      -1.863500     -3.4600001E-02
 C    3.114800     -0.4788000     -3.4299999E-02
 C    3.221400      -2.808800      0.8995000    
 C    2.423100      -2.434500      -1.455300    
 H   -2.667900      0.8006000      -1.686900    
 H   -1.969900       1.823100     -0.4284000    
 H   -1.936800      -2.394200      0.1913000    
 H   -2.659300      -1.757600      -1.273400    
 H    1.562300      0.6855000       1.617300    
 H  -0.1183000       1.093200       1.613500    
 H  -0.5321000       2.785500     -0.7036000    
 H   0.2017000       2.088300      -2.148400    
 H   -3.502500       1.279500       1.227200    
 H   -4.331100       1.856600     -0.2176000    
 H   -4.287100      -2.364400      0.4618000    
 H   -3.474000      -1.348600       1.651400    
 H    1.615600       2.796700       2.475200    
 H   0.2196000       3.340300       1.552700    
 H    1.036800       4.322500      -1.210000    
 H    2.255000       3.143900      -1.666200    
 H   -5.436800     -0.1557000      0.8093000    
 H   -4.942600     -0.4205000     -0.8634000    
 H    2.272000       4.452500      0.7268000    
 H    3.031600       2.890500      0.4555000    
 H    3.177200     -1.5699999E-02  0.9494000    
 H    4.174500     -0.6263000     -0.2975000    
 H    2.787400      0.2036000     -0.8158000    
 H    2.759300      -3.802600      0.9308000    
 H    3.245500      -2.425800       1.926500    
 H    4.258700      -2.938300      0.5703000    
 H    1.976200      -1.758800      -2.190200    
 H    3.443600      -2.630900      -1.807100    
 H    1.884900      -3.387900      -1.504500    


%chk=000178605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178605

0 1
S 1.181859 -0.981099 0.839229
P -0.078420 0.376737 -1.217492
O 0.214254 -2.237578 1.431833
N -1.708738 -0.068678 -0.707591
N 0.015132 2.009331 -0.559814
C -2.874968 0.838426 -0.808188
C -2.076213 -1.505378 -0.605453
C -0.469610 2.399884 0.792187
C 0.963054 2.961745 -1.184129
C -3.801057 0.672133 0.418215
C -2.996388 -1.736595 0.614652
C 0.548377 3.332776 1.505116
C 2.273670 3.111870 -0.354669
C -4.230890 -0.806981 0.572162
C 1.995232 2.911821 1.164229
C 2.544117 -1.955552 -0.248997
C 3.402342 -0.887387 -0.943890
C 3.335154 -2.780242 0.783605
C 1.777320 -2.867163 -1.216142
H -3.451666 0.588103 -1.729946
H -2.522408 1.877952 -0.913638
H -1.164646 -2.112925 -0.473385
H -2.601253 -1.821478 -1.537475
H -0.619792 1.471866 1.376328
H -1.456414 2.905411 0.726907
H 0.455288 3.943498 -1.275129
H 1.182160 2.623561 -2.213468
H -3.259702 0.998675 1.327333
H -4.687591 1.326318 0.300164
H -3.308827 -2.798870 0.627009
H -2.395031 -1.561414 1.524962
H 0.367496 3.284643 2.595106
H 0.385166 4.385398 1.200705
H 2.695746 4.118840 -0.541249
H 3.026079 2.376737 -0.697386
H -4.842540 -0.936480 1.485242
H -4.874944 -1.087078 -0.288353
H 2.722916 3.485872 1.766880
H 2.123175 1.845844 1.434047
H 3.861156 -0.196490 -0.211237
H 4.224929 -1.376955 -1.501658
H 2.810802 -0.297163 -1.667784
H 2.646476 -3.421610 1.362690
H 3.884113 -2.130786 1.489357
H 4.067927 -3.429229 0.264736
H 1.265256 -2.286561 -2.004795
H 2.471579 -3.579501 -1.703385
H 1.023823 -3.449349 -0.651438


