%chk=000003656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003656

0 1
 S   0.5222000       2.467000      0.2729000    
 O   0.4091000       3.097200      -1.028300    
 O    1.025200       3.212900       1.410200    
 O   -1.726900       1.201700      -1.455500    
 O    3.248300      -3.574600     -4.1000001E-02
 N   -3.043100      0.6878000      0.3752000    
 N  -0.9733000       1.749200      0.6864000    
 C   -3.935300      -1.418400     -0.5357000    
 C   -4.128300      8.2400002E-02 -0.3459000    
 C   -3.858700      -2.174100      0.7929000    
 C    1.548300       1.037800      0.1047000    
 C   -3.726800      -3.672900      0.5723000    
 C    3.154800      -1.201100     -0.1592000    
 C    2.230700      0.5613000       1.210800    
 C    1.650400      0.4209000      -1.130200    
 C   -1.916000       1.205100     -0.2428000    
 C    3.040300     -0.5669000       1.077700    
 C    2.459900     -0.7073000      -1.263300    
 C    4.019200      -2.408000     -0.3013000    
 H   -3.019300      -1.602800      -1.110800    
 H   -4.771100      -1.807500      -1.129400    
 H   -5.046000      0.2815000      0.2176000    
 H   -4.223900      0.5669000      -1.323800    
 H   -4.759300      -1.976300       1.385600    
 H   -3.000400      -1.827900       1.379700    
 H   -3.103300      0.7336000       1.387800    
 H   -1.228800       1.746500       1.681900    
 H    2.148300       1.035100       2.184000    
 H    1.114400      0.7874000      -2.000200    
 H   -2.818800      -3.907800      7.7999998E-03
 H   -3.674000      -4.194200       1.533300    
 H   -4.586500      -4.065600      2.0000000E-02
 H    3.573700     -0.9444000       1.946100    
 H    2.538700      -1.194400      -2.231600    
 H    4.435500      -2.477200      -1.312400    
 H    4.859700      -2.375100      0.4007000    
 H    3.842800      -4.337300     -0.1426000    


%chk=000003656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003656

0 1
S 0.582619 2.230695 0.732397
O 0.478037 3.333618 -0.443401
O 0.901722 2.672304 2.266542
O -1.229503 0.626283 -1.228221
O 5.308918 -2.635169 0.304270
N -3.092125 0.541495 0.194385
N -1.042400 1.383351 0.978881
C -4.130827 -1.662674 -0.486120
C -3.953625 -0.154806 -0.779899
C -4.854317 -1.963250 0.846639
C 1.767980 0.857796 0.228999
C -5.050800 -3.475784 1.087332
C 3.610128 -1.094473 -0.480370
C 2.555292 0.295492 1.244562
C 1.851364 0.501796 -1.126412
C -1.768914 0.841067 -0.101373
C 3.488362 -0.698373 0.872628
C 2.792402 -0.490353 -1.470785
C 4.614064 -2.157682 -0.892626
H -3.135978 -2.149233 -0.492316
H -4.708939 -2.107612 -1.321912
H -4.941290 0.346948 -0.795344
H -3.482068 -0.012957 -1.767207
H -5.841042 -1.455229 0.850309
H -4.272927 -1.536008 1.689594
H -3.468475 0.744544 1.120573
H -1.451197 1.649814 1.882673
H 2.454344 0.636384 2.279840
H 1.195432 0.965644 -1.866884
H -4.077488 -4.000722 1.110413
H -5.563985 -3.670873 2.046627
H -5.656820 -3.929166 0.280547
H 4.130633 -1.172386 1.618309
H 2.881621 -0.796105 -2.520122
H 4.078614 -2.989437 -1.400871
H 5.331106 -1.720031 -1.621613
H 5.981782 -3.314406 0.053556


