%chk=000177705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177705

0 1
 S    1.209100      -2.464000      -2.231200    
 S    1.008500      -4.277100      0.7547000    
 P   0.6694000      -2.587700     -0.1785000    
 O  -0.9137000      -2.202900     -6.4499997E-02
 O    1.321600      -1.305700      0.5965000    
 C   -4.656300       1.048500      0.1280000    
 C    3.028000       2.645700      0.1158000    
 C   -3.322000      0.6457000     -0.5265000    
 C    2.661400       1.167800     -0.1136000    
 C   -2.739700     -0.6551000      2.8000001E-02
 C    3.086800      0.2496000       1.033100    
 C   -1.409400     -0.9973000     -0.6301000    
 C    2.727300      -1.202900      0.7489000    
 C   -4.525900       1.261600       1.637000    
 C   -5.192300       2.323400     -0.5282000    
 C    4.534300       2.855400      0.2793000    
 C    2.512800       3.494900      -1.048800    
 H   -5.387000      0.2479000     -4.3099999E-02
 H    2.532200       2.992400       1.031400    
 H   -3.471800      0.5346000      -1.608000    
 H   -2.591600       1.454300     -0.3924000    
 H    1.576100       1.095900     -0.2561000    
 H    3.123200      0.8179000      -1.046000    
 H   -2.574700     -0.5831000       1.108700    
 H   -3.446600      -1.481000     -0.1172000    
 H    2.586800      0.5772000       1.952500    
 H    4.166800      0.3059000       1.199800    
 H  -0.6904000     -0.1866000     -0.4772000    
 H   -1.546800      -1.145800      -1.705700    
 H    3.037400      -1.831400       1.589400    
 H    3.237400      -1.554300     -0.1533000    
 H   -5.462000       1.646000       2.056700    
 H   -4.305100      0.3247000       2.156900    
 H   -3.732600       1.979900       1.870000    
 H   -5.326300       2.179600      -1.605500    
 H   -6.164500       2.599600     -0.1063000    
 H   -4.507000       3.165200     -0.3806000    
 H    4.773100       3.923000      0.3369000    
 H    4.905500       2.396300       1.200200    
 H    5.088700       2.431300     -0.5646000    
 H    1.428700       3.386200      -1.159800    
 H    2.724800       4.556300     -0.8809000    
 H    2.982100       3.200700      -1.993900    
 H   0.4384000      -3.465700      -2.679200    


%chk=000177705-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177705

0 1
S 0.784828 -2.438159 -2.284361
S 1.032337 -4.312043 0.952795
P 0.548395 -2.542508 0.035113
O -1.047219 -1.999974 0.378031
O 1.432244 -1.100406 0.426560
C -5.119343 0.910433 0.031384
C 3.563045 2.693024 -0.000112
C -3.596602 0.769202 -0.240442
C 3.157158 1.232881 -0.334323
C -2.990621 -0.572473 0.238488
C 3.429525 0.223180 0.802185
C -1.523089 -0.691443 -0.171468
C 2.921620 -1.186903 0.499524
C -5.448816 0.881530 1.543250
C -5.657994 2.208462 -0.616052
C 5.082372 2.834000 0.262002
C 3.120748 3.644841 -1.137057
H -5.628841 0.047621 -0.449078
H 3.024835 2.989878 0.926117
H -3.422046 0.877467 -1.331609
H -3.066976 1.614122 0.248795
H 2.076987 1.204734 -0.577154
H 3.696518 0.911179 -1.250858
H -3.055443 -0.659069 1.337922
H -3.557056 -1.420181 -0.192200
H 2.963151 0.574168 1.743625
H 4.518097 0.140380 0.993818
H -0.905721 0.117352 0.260092
H -1.402653 -0.702272 -1.273010
H 3.190825 -1.903051 1.298532
H 3.306206 -1.556587 -0.472224
H -6.533817 1.014467 1.709829
H -5.152982 -0.072657 2.014590
H -4.923473 1.700918 2.071947
H -5.464681 2.227766 -1.705060
H -6.748516 2.307823 -0.461894
H -5.172560 3.098111 -0.169658
H 5.352918 3.889106 0.453103
H 5.411533 2.243775 1.136488
H 5.661434 2.491515 -0.617961
H 2.031555 3.577256 -1.317716
H 3.361999 4.696816 -0.895952
H 3.636559 3.389024 -2.083004
H 0.508255 -3.786405 -2.450398


