%chk=000071341.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071341

0 1
 S   0.4071000       1.405900      -1.115900    
 S   -1.824200     -0.5786000      -1.618700    
 S   -4.464300       1.252900       1.315300    
 O    4.237100       1.229800       1.605900    
 O    3.448600      -1.789900     -0.2523000    
 O   -5.278400      0.2111000       2.025500    
 O   0.7068000      -2.710800       1.361300    
 O  -0.4193000      -3.150500     -0.5801000    
 N    1.611200     -0.4245000      0.3337000    
 C    3.133400      0.7403000     -0.4712000    
 C    1.729000       1.022200      9.0899996E-02
 C    2.866500     -0.7392000     -0.1028000    
 C    4.356400       1.337700      0.1875000    
 C   0.4483000     -0.9825000     -0.1353000    
 C  -0.3247000     -0.1706000     -0.8768000    
 C   -2.914400      0.6235000     -0.8072000    
 C   -4.358000      0.4750000      -1.267300    
 C   -2.945500      0.4194000      0.7006000    
 C   -5.148200       1.416100     -0.3744000    
 C    4.549200       2.805200     -0.1774000    
 C   0.1835000      -2.392300      0.1586000    
 H    3.207800      0.8497000      -1.563700    
 H    1.679800       1.601000       1.018800    
 H    5.249200      0.7773000     -0.1136000    
 H   -2.577100       1.639700      -1.045700    
 H   -4.715500     -0.5540000      -1.130100    
 H   -4.488700      0.7390000      -2.322200    
 H   -3.026100     -0.6360000      0.9840000    
 H   -2.088200      0.8661000       1.211800    
 H   -5.005800       2.457800     -0.6792000    
 H   -6.217200       1.189100     -0.3659000    
 H    3.698000       3.406200      0.1614000    
 H    5.440900       3.211700      0.3111000    
 H    4.650300       2.933800      -1.259500    
 H    5.048600       1.595500       1.997200    
 H   0.5496000      -3.650700       1.594500    


%chk=000071341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071341

0 1
S 0.125390 1.195253 -0.390656
S -2.075648 -1.091416 -0.552227
S -4.955180 2.113393 0.917551
O 4.435982 0.950357 1.463024
O 3.750913 -1.583266 -1.254978
O -5.985488 1.069083 1.721284
O 1.672036 -3.483823 0.696543
O -0.556995 -3.517881 -0.004072
N 1.914210 -0.760134 0.155320
C 3.148669 0.849245 -0.547367
C 1.866385 0.705566 0.333264
C 3.088745 -0.714560 -0.674466
C 4.394779 1.478209 0.085070
C 0.658619 -1.432501 0.059443
C -0.387636 -0.567491 -0.246342
C -3.033682 0.582739 -0.517091
C -4.420920 0.328884 -1.151287
C -3.231610 1.113798 0.902310
C -5.200447 1.635339 -0.972818
C 4.362653 3.018026 0.077537
C 0.503252 -2.874156 0.232213
H 2.940920 1.309124 -1.528792
H 1.914083 1.067445 1.367932
H 5.275288 1.117065 -0.489137
H -2.458950 1.288573 -1.142036
H -4.943753 -0.485877 -0.614649
H -4.334123 0.046787 -2.215570
H -3.445992 0.327255 1.643295
H -2.439870 1.796780 1.241823
H -4.789710 2.471400 -1.564186
H -6.290260 1.548361 -1.093298
H 3.491269 3.393009 0.643771
H 5.275282 3.432071 0.544487
H 4.306827 3.409548 -0.955173
H 5.311831 1.155239 1.874499
H 1.518831 -4.465041 0.753577


