%chk=000135377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135377

0 1
 S    1.682400       1.353400      5.0000002E-04
 O   -7.506200     -0.8178000     -0.9445000    
 O   -7.720300      0.4143000      0.9424000    
 C    4.542500      -1.513600      5.2600000E-02
 C    4.508600       1.589800     -0.1480000    
 C    5.746700     -0.6532000     -0.4288000    
 C    5.768700      0.7453000      0.2023000    
 C    3.269100     -0.6780000      5.5100001E-02
 C    3.271200      0.7096000     -1.6799999E-02
 C    4.815000      -2.043400       1.476500    
 C    4.420500      -2.720200     -0.9007000    
 C    4.470600       2.789900      0.8186000    
 C    4.619300       2.115900      -1.593600    
 C    1.933000      -1.187100      0.1691000    
 C   0.9824000     -0.1936000      0.1486000    
 C  -0.4207000     -0.3170000      0.2336000    
 C  -0.9843000      -1.504000       1.026800    
 C   -1.346800      0.5386000     -0.3426000    
 C   -2.804500      0.3835000     -0.2362000    
 C   -3.482700     -0.3611000      -1.190000    
 C   -3.479500      0.9851000      0.8161000    
 C   -4.866300     -0.5074000      -1.089700    
 C   -4.863100      0.8388000      0.9166000    
 C   -5.556600      9.2399999E-02 -3.6300000E-02
 C   -6.999000     -6.0300000E-02  6.8400003E-02
 H    5.719800     -0.5469000      -1.520900    
 H    6.689500      -1.166400     -0.1999000    
 H    5.858700      0.6389000       1.291100    
 H    6.674800       1.272400     -0.1234000    
 H    4.013500      -2.713000       1.810900    
 H    5.753700      -2.607200       1.517100    
 H    4.878100      -1.231300       2.208900    
 H    3.643400      -3.420500     -0.5744000    
 H    4.165100      -2.398900      -1.917400    
 H    5.362400      -3.278500     -0.9518000    
 H    4.317100       2.463400       1.854000    
 H    5.410900       3.352400      0.7815000    
 H    3.666200       3.491800      0.5718000    
 H    5.545900       2.683000      -1.737500    
 H    4.606000       1.302600      -2.327500    
 H    3.786300       2.784200      -1.841900    
 H    1.695600      -2.240400      0.2571000    
 H  -0.4046000      -1.646100       1.946900    
 H  -0.9074000      -2.419400      0.4297000    
 H   -2.022700      -1.395100       1.346500    
 H   -1.032100       1.391400     -0.9384000    
 H   -2.956000     -0.8331000      -2.015500    
 H   -2.950700       1.569300       1.564700    
 H   -5.364900      -1.097000      -1.853800    
 H   -5.382900       1.313700       1.744600    
 H   -8.479200     -0.9194000     -0.8717000    


%chk=000135377-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135377

0 1
S 1.588363 1.174125 -0.488025
O -7.795636 1.107966 -0.800985
O -7.899363 -0.548572 0.823793
C 4.704975 -1.385508 0.472268
C 4.463029 1.579575 -0.566403
C 5.870442 -0.559785 -0.155080
C 5.742458 0.959675 0.082837
C 3.377443 -0.677570 0.178881
C 3.307950 0.642018 -0.260771
C 4.894429 -1.506499 2.014394
C 4.715937 -2.810414 -0.147916
C 4.222246 2.991510 0.036819
C 4.644431 1.716797 -2.109862
C 2.079279 -1.281262 0.350969
C 0.988123 -0.466909 0.043482
C -0.438828 -0.776355 0.135169
C -0.782526 -2.205413 0.534300
C -1.391614 0.182578 -0.164887
C -2.854584 0.128299 -0.076974
C -3.606378 1.030374 -0.896189
C -3.590492 -0.717672 0.813585
C -5.008872 1.060064 -0.869135
C -4.993773 -0.686658 0.849077
C -5.720558 0.192284 0.002576
C -7.199001 0.182549 0.077988
H 5.905051 -0.761085 -1.244478
H 6.829007 -0.924987 0.263186
H 5.722758 1.165622 1.171099
H 6.629778 1.482146 -0.325097
H 4.050416 -2.053265 2.473587
H 5.826113 -2.057179 2.245646
H 4.948484 -0.513737 2.495761
H 3.969174 -3.471201 0.329238
H 4.498989 -2.774500 -1.230994
H 5.709834 -3.276847 -0.009707
H 4.034524 2.931918 1.123855
H 5.111268 3.628312 -0.129624
H 3.354725 3.490397 -0.433520
H 5.472843 2.415304 -2.333342
H 4.871640 0.743158 -2.577946
H 3.724612 2.108830 -2.580157
H 1.951624 -2.307224 0.703883
H -0.751718 -2.343349 1.632572
H -0.062405 -2.915573 0.092872
H -1.786118 -2.487110 0.179947
H -1.014473 1.141994 -0.550743
H -3.065305 1.704953 -1.570569
H -3.059166 -1.365151 1.515118
H -5.567102 1.747262 -1.510950
H -5.552921 -1.328545 1.538116
H -8.782614 1.044460 -0.696963


