%chk=000070239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070239

0 1
 S    7.306100     -0.9701000      9.0899996E-02
 S    8.854800      0.4390000      2.7100001E-02
 O    10.21340     -0.4564000      0.1231000    
 O    8.821800       1.061100      -1.282600    
 O    8.762200       1.240000       1.232500    
 N    3.387100      6.6699997E-02 -7.6200001E-02
 C   -4.171700      0.3014000     -8.2599998E-02
 C   -2.910500     -0.5661000     -4.0100001E-02
 C   -5.469600     -0.5057000      9.7000003E-03
 C   -1.613000      0.2451000     -5.8100000E-02
 C   -6.691300      0.4168000      3.4499999E-02
 C  -0.3863000     -0.6709000     -4.6300001E-02
 C   -8.022400     -0.3375000      0.1041000    
 C   0.9120000      0.1407000     -9.3000002E-02
 C   -9.245400      0.5809000      5.4600000E-02
 C    2.167600     -0.7293000     -1.2200000E-02
 C   -10.54400     -0.2270000      5.4000001E-02
 C    4.567000     -0.7822000      1.2700000E-02
 C   -11.76290      0.6775000     -3.3599999E-02
 C    5.825400      7.6099999E-02 -1.8700000E-02
 H   -4.173300      0.8890000      -1.009000    
 H   -4.135600       1.018800      0.7469000    
 H   -2.923000      -1.253400     -0.8951000    
 H   -2.932300      -1.186500      0.8646000    
 H   -5.458400      -1.120500      0.9176000    
 H   -5.537800      -1.189300     -0.8447000    
 H   -1.585600      0.9127000      0.8114000    
 H   -1.591400      0.8780000     -0.9535000    
 H   -6.684000       1.044800     -0.8652000    
 H   -6.619600       1.094700      0.8940000    
 H  -0.3999000      -1.289700      0.8590000    
 H  -0.4217000      -1.351800     -0.9053000    
 H   -8.071400      -1.046100     -0.7322000    
 H   -8.051100     -0.9330000       1.025000    
 H   0.9330000      0.7280000      -1.020100    
 H   0.9186000      0.8591000      0.7370000    
 H   -9.199400       1.201400     -0.8485000    
 H   -9.229700       1.260300      0.9152000    
 H    2.149900      -1.454700     -0.8351000    
 H    2.141500      -1.294400      0.9276000    
 H   -10.55180     -0.9205000     -0.7949000    
 H   -10.60690     -0.8306000      0.9669000    
 H    3.406600      0.5994000     -0.9453000    
 H    4.578100      -1.493000     -0.8233000    
 H    4.538900      -1.356500      0.9473000    
 H   -11.80290       1.365000      0.8174000    
 H   -11.74660       1.270000     -0.9539000    
 H   -12.67960      7.9599999E-02 -3.0800000E-02
 H    5.875700      0.6540000     -0.9479000    
 H    5.832000      0.7807000      0.8201000    
 H    11.05700      5.3599998E-02  0.1069000    


%chk=000070239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070239

0 1
S 7.749041 -0.291621 -0.868128
S 7.720613 0.612389 1.435019
O 7.052795 -0.937828 2.245202
O 9.179768 0.916033 2.057851
O 6.567961 1.751022 1.529483
N 3.619216 -0.085761 -1.171132
C -3.964057 0.283406 -0.271750
C -2.695048 -0.593026 -0.172147
C -5.263146 -0.473966 0.084998
C -1.405421 0.154872 -0.579484
C -6.522055 0.421728 0.045097
C -0.125115 -0.692305 -0.403190
C -7.826955 -0.338206 0.374489
C 1.149804 0.037989 -0.881146
C -9.080223 0.566193 0.366428
C 2.433633 -0.778093 -0.633650
C -10.387776 -0.195378 0.683431
C 4.938563 -0.668169 -0.889659
C -11.632264 0.718822 0.684253
C 6.029360 0.354138 -1.247444
H -4.049373 0.691108 -1.300963
H -3.855201 1.159928 0.400774
H -2.816453 -1.491003 -0.813515
H -2.590331 -0.966219 0.868187
H -5.162586 -0.917617 1.097831
H -5.395613 -1.325328 -0.615031
H -1.314292 1.083004 0.022295
H -1.489955 0.478406 -1.638222
H -6.611926 0.884152 -0.960341
H -6.395981 1.260271 0.761675
H -0.014874 -0.966295 0.666701
H -0.236049 -1.646558 -0.959484
H -7.965324 -1.163023 -0.355702
H -7.729386 -0.818922 1.370631
H 1.055485 0.257598 -1.966408
H 1.245303 1.014318 -0.368099
H -9.174623 1.055530 -0.625829
H -8.946443 1.385028 1.104212
H 2.312039 -1.801750 -1.068799
H 2.586317 -0.914606 0.454969
H -10.524102 -1.008367 -0.058815
H -10.290028 -0.690386 1.671376
H 3.499080 0.233747 -2.141127
H 5.134883 -1.623896 -1.435698
H 4.994891 -0.899774 0.190081
H -11.532408 1.521636 1.439138
H -11.769076 1.202283 -0.301626
H -12.553469 0.151927 0.913356
H 6.042552 0.586031 -2.330076
H 5.880825 1.303810 -0.695429
H 7.157023 -0.828074 3.237317


