%chk=000078119.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078119

0 1
 S    3.314800      -1.921400       1.412300    
 O  -0.6013000      -1.899800     -0.3105000    
 O   -4.555900       1.665900      0.1262000    
 O    2.505300      -3.105900      0.6312000    
 O    4.597700      -2.474300       1.815600    
 O    2.418900      -1.326600       2.389600    
 N    1.248800     -0.1053000      9.8399997E-02
 N   -2.920800       3.634100      0.5545000    
 C   -1.180000      0.3681000      6.1400000E-02
 C   -2.213100       1.300700      0.1756000    
 C   0.1508000      0.7799000      0.2002000    
 C   -1.915300       2.645100      0.4287000    
 C  -0.5878000       3.051200      0.5663000    
 C   -1.480000      -1.053500     -0.2057000    
 C   -2.888700      -1.474200     -0.3503000    
 C   -3.921700     -0.5415000     -0.2360000    
 C   -3.621700      0.8799000      3.1099999E-02
 C   0.4432000       2.120600      0.4523000    
 C    2.576100      7.2300002E-02 -0.3297000    
 C    3.617700     -0.6988000      0.1954000    
 C   -3.186500      -2.818500     -0.6039000    
 C   -5.252700     -0.9531000     -0.3755000    
 C  -0.2329000       4.478700      0.8358000    
 C    2.855400       1.038600      -1.300500    
 C    4.926500     -0.5050000     -0.2464000    
 C    5.199700      0.4607000      -1.215100    
 C   -4.514200      -3.224400     -0.7421000    
 C   -5.545000      -2.293800     -0.6281000    
 C    4.164100       1.232400      -1.742200    
 C    6.598500      0.6679000      -1.688700    
 H    1.468100       2.452800      0.5970000    
 H    1.033100      -1.052000      0.3931000    
 H   -2.402700      -3.565400     -0.6976000    
 H   -6.076300     -0.2492000     -0.2917000    
 H  -0.5843000       5.124000      2.3700001E-02
 H  -0.6656000       4.811500       1.785100    
 H   0.8509000       4.622100      0.9106000    
 H    2.069000       1.636800      -1.753000    
 H    5.748600      -1.094900      0.1494000    
 H   -2.687600       4.599400      0.7386000    
 H   -3.895600       3.385500      0.4625000    
 H   -4.744500      -4.267500     -0.9389000    
 H   -6.577800      -2.612400     -0.7362000    
 H    4.363100       1.984800      -2.500800    
 H    7.139100     -0.2833000      -1.741000    
 H    6.619600       1.103800      -2.693300    
 H    7.130200       1.339200      -1.007100    
 H    2.994000      -3.534300     -0.1105000    


%chk=000078119-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078119

0 1
S 2.972110 -2.151073 0.959896
O -0.451204 -1.917960 -0.496695
O -4.632801 1.614226 0.368460
O 2.037692 -3.118581 -0.296687
O 4.277316 -3.024752 1.324150
O 1.953492 -1.661224 2.120485
N 1.234208 0.001263 -0.461301
N -2.990023 3.576264 0.572813
C -1.150637 0.375554 -0.135679
C -2.240065 1.294849 0.119590
C 0.198514 0.880458 -0.188129
C -1.968303 2.688372 0.344732
C -0.594657 3.159711 0.361217
C -1.414931 -1.055172 -0.298500
C -2.807205 -1.541916 -0.241398
C -3.883093 -0.633025 -0.022825
C -3.627322 0.815977 0.166271
C 0.436126 2.267024 0.095524
C 2.612926 0.247297 -0.601794
C 3.555446 -0.687545 -0.095325
C -3.078059 -2.925469 -0.411422
C -5.214437 -1.119678 0.022216
C -0.304433 4.610777 0.680788
C 3.156131 1.339021 -1.334635
C 4.938616 -0.588069 -0.288397
C 5.466796 0.514435 -1.006457
C -4.401661 -3.398559 -0.364501
C -5.473959 -2.492341 -0.147110
C 4.547145 1.466073 -1.519832
C 6.962674 0.670046 -1.201855
H 1.467837 2.625787 0.144729
H 0.873772 -0.985901 -0.540945
H -2.235628 -3.602318 -0.580022
H -6.019121 -0.398469 0.193122
H -0.769623 5.293304 -0.058330
H -0.691028 4.891260 1.680397
H 0.778929 4.809753 0.677909
H 2.475499 2.052325 -1.808935
H 5.592036 -1.362517 0.128958
H -2.802063 4.559510 0.752042
H -3.947367 3.167642 0.569989
H -4.606274 -4.466379 -0.495780
H -6.503669 -2.863835 -0.110466
H 4.927456 2.313865 -2.101747
H 7.461987 -0.309454 -1.297633
H 7.192120 1.261775 -2.104925
H 7.423848 1.190004 -0.339959
H 1.046089 -2.981436 -0.142205


