%chk=000065788.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065788

0 1
 S    2.176400      -1.988400      9.0300001E-02
 O  -0.7787000      -2.363700      5.6499999E-02
 O    4.809900      -1.913100      0.1359000    
 O   -3.265700      -2.775300      0.6731000    
 O   -4.680800      -1.481900     -0.5737000    
 N   -1.802600       1.573300     -0.2047000    
 N    3.651100      0.1288000     -1.3200000E-02
 C  -0.4219000       1.254300     -0.1597000    
 C  -1.1200000E-02 -0.1034000     -6.8099998E-02
 C    1.356300     -0.4106000     -2.3499999E-02
 C    2.318800      0.6028000     -6.8200000E-02
 C   0.5815000       2.249300     -0.2028000    
 C   -1.056300      -1.173900     -2.1500001E-02
 C   -2.201600       2.976400     -0.2988000    
 C    1.941300       1.933200     -0.1578000    
 C   -2.737700      0.5591000     -0.1595000    
 C   -2.475900     -0.7478000     -7.4000001E-02
 C    3.785200      -1.250000      7.5199999E-02
 C   -2.377200       3.590800       1.079500    
 C    4.793800       1.019500     -4.6799999E-02
 C   -3.604600      -1.679400     -3.8199998E-02
 H   0.3445000       3.307600     -0.2530000    
 H   -1.540700       3.577700     -0.9313000    
 H   -3.171300       3.038200     -0.8124000    
 H    2.672300       2.734700     -0.1895000    
 H   -3.758200      0.9286000     -0.1936000    
 H   -3.120000       3.040200       1.666500    
 H   -1.438800       3.587900       1.642700    
 H   -2.716500       4.627700      0.9916000    
 H    4.748900       1.699100      0.8094000    
 H    4.782500       1.588700     -0.9810000    
 H    5.726700      0.4510000      5.9000002E-03
 H   -3.998700      -3.425600      0.7199000    


%chk=000065788-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065788

0 1
S 2.092628 -2.048286 0.177516
O -0.606220 -2.430538 0.176732
O 4.891759 -1.857151 0.198950
O -3.320224 -3.041663 0.177012
O -4.807623 -1.279270 -0.014397
N -1.810310 1.561032 -0.212448
N 3.650569 0.152534 0.007204
C -0.421928 1.262991 -0.150235
C -0.030629 -0.111750 -0.022584
C 1.351054 -0.405727 0.023918
C 2.328356 0.622107 -0.052301
C 0.560870 2.287119 -0.220151
C -1.020927 -1.228613 0.060389
C -2.294417 2.968487 -0.299958
C 1.929373 1.971494 -0.174340
C -2.732405 0.553123 -0.136121
C -2.425301 -0.801843 -0.005923
C 3.806258 -1.242458 0.130560
C -2.297530 3.688415 1.063776
C 4.828549 1.029342 -0.052870
C -3.612549 -1.689700 0.048121
H 0.272701 3.336656 -0.310534
H -1.676681 3.509358 -1.037609
H -3.318047 2.933429 -0.709597
H 2.673614 2.771039 -0.232086
H -3.787525 0.841182 -0.184080
H -2.961881 3.170772 1.777106
H -1.288180 3.732518 1.506607
H -2.665666 4.722533 0.939587
H 4.825781 1.747576 0.786687
H 4.858555 1.581332 -1.009513
H 5.722004 0.390206 0.022417
H -4.183229 -3.540447 0.203366


