%chk=000033331.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033331

0 1
 S   -1.370500      0.2640000      -2.096700    
 N    3.653300     -0.2507000     -7.4100003E-02
 C  -0.6603000     -0.3780000     -0.4985000    
 C   -1.762200       1.950100      -1.461200    
 C  -0.8543000      0.7473000      0.5067000    
 C   0.8186000     -0.6987000     -0.7177000    
 C   -1.419600       1.935200      1.1100000E-02
 C   -1.414900      -1.612900     -0.1190000    
 C    1.595700      0.5437000      -1.143000    
 C  -0.8991000       2.959900      -2.225200    
 C   -3.253200       2.210400      -1.698200    
 C  -0.4939000      0.6517000       1.855300    
 C   -1.623700       3.017500      0.8722000    
 C    3.077800      0.2224000      -1.327500    
 C   -2.800700      -1.565700      9.9999998E-03
 C  -0.7281000      -2.803800      0.1029000    
 C  -0.7037000       1.735500       2.707100    
 C   -1.267000       2.914300       2.217100    
 C    5.058800     -0.6168000     -0.2578000    
 C    3.526500      0.7690000      0.9685000    
 C   -3.504400      -2.717100      0.3636000    
 C   -1.431800      -3.955200      0.4565000    
 C   -2.820000      -3.911600      0.5868000    
 C    5.214000      -1.675200      -1.336700    
 C    4.062800      0.2649000       2.297700    
 H    1.263700      -1.069000      0.2144000    
 H   0.9600000      -1.471000      -1.487500    
 H    1.262800      0.8681000      -2.134900    
 H    1.450300       1.407900     -0.4916000    
 H   -1.151500       3.986100      -1.930400    
 H   -1.060300       2.893700      -3.307700    
 H   0.1707000       2.841200      -2.030700    
 H   -3.537500       3.215400      -1.363800    
 H   -3.510600       2.145200      -2.762200    
 H   -3.888400       1.504300      -1.150800    
 H  -5.0700001E-02 -0.2583000       2.249200    
 H   -2.055700       3.944300      0.5059000    
 H    3.601200       1.113400      -1.698600    
 H    3.132200     -0.5367000      -2.115000    
 H   -3.364500     -0.6498000     -0.1378000    
 H   0.3457000      -2.923400      2.7300000E-02
 H  -0.4255000       1.662800       3.754500    
 H   -1.425900       3.756100       2.885100    
 H    5.680400      0.2533000     -0.5040000    
 H    5.462300      -1.065000      0.6559000    
 H    4.034100       1.702200      0.6933000    
 H    2.480900       1.011700       1.169500    
 H   -4.584700      -2.682600      0.4695000    
 H  -0.9002000      -4.886000      0.6319000    
 H   -3.367700      -4.807800      0.8635000    
 H    6.219900      -2.107200      -1.282300    
 H    5.109300      -1.264400      -2.345500    
 H    4.501100      -2.497000      -1.207800    
 H    3.751500      0.9438000       3.099900    
 H    5.156300      0.2343000       2.324400    
 H    3.671400     -0.7286000       2.542700    


%chk=000033331-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033331

0 1
S -1.429531 0.349015 -2.263402
N 3.822556 -0.016527 -0.035913
C -0.586388 -0.362832 -0.655813
C -1.934589 2.036814 -1.471732
C -0.832676 0.730469 0.390010
C 0.931210 -0.560224 -0.922380
C -1.479724 1.920915 -0.015938
C -1.303003 -1.675925 -0.283823
C 1.725807 0.715665 -1.257260
C -1.208981 3.182967 -2.217225
C -3.470665 2.190633 -1.588642
C -0.403959 0.580439 1.731536
C -1.691089 2.960353 0.923916
C 3.244610 0.438409 -1.331789
C -2.648013 -1.628780 0.173724
C -0.677542 -2.944397 -0.385361
C -0.614732 1.617218 2.664345
C -1.259400 2.811675 2.259356
C 5.054272 -0.832525 -0.214612
C 4.017658 1.106270 0.922763
C -3.345136 -2.803359 0.516156
C -1.376002 -4.127797 -0.045939
C -2.711255 -4.064887 0.405452
C 4.762339 -2.272475 -0.679498
C 4.007816 0.649566 2.394358
H 1.395393 -1.020175 -0.026408
H 1.054697 -1.279460 -1.755972
H 1.386695 1.119317 -2.231355
H 1.524089 1.498748 -0.501307
H -1.491198 4.163017 -1.784988
H -1.487658 3.188339 -3.286031
H -0.114676 3.071133 -2.142762
H -3.797566 3.151383 -1.144998
H -3.782108 2.179437 -2.648433
H -3.991177 1.369051 -1.068256
H 0.083977 -0.350852 2.041595
H -2.193256 3.884696 0.614508
H 3.769609 1.352140 -1.710187
H 3.420201 -0.356563 -2.081031
H -3.147782 -0.656819 0.252567
H 0.358432 -3.024392 -0.726300
H -0.284192 1.496847 3.702068
H -1.426522 3.617617 2.982709
H 5.766798 -0.342221 -0.926978
H 5.572820 -0.879651 0.760417
H 4.963371 1.665825 0.704167
H 3.190393 1.824100 0.777077
H -4.382016 -2.739885 0.865745
H -0.872716 -5.097508 -0.135295
H -3.251997 -4.981381 0.667334
H 5.702762 -2.847997 -0.770116
H 4.260951 -2.296013 -1.664158
H 4.105555 -2.779634 0.049027
H 4.144455 1.515786 3.068812
H 4.815256 -0.073602 2.610224
H 3.044528 0.165238 2.632338


