%chk=000124194.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124194

0 1
 S   -5.795000     -0.2795000      0.7980000    
 O   -1.632700      0.7246000      -2.706800    
 O   -7.094600      0.2325000       1.191100    
 O   -5.607600     -0.8952000     -0.5007000    
 N   0.5545000      0.2023000      -1.014300    
 N    4.213900     -0.6721000      0.8303000    
 N   -4.620100      0.9497000       1.072000    
 C    1.799900     -6.7500003E-02 -0.3863000    
 C    2.645000      0.9665000      2.8899999E-02
 C    2.163100      -1.404200     -0.1927000    
 C    3.859400      0.6137000      0.6414000    
 C    2.305400       2.318500     -0.1531000    
 C    3.396200      -1.664300      0.4284000    
 C  -0.7378000      0.3901000     -0.5054000    
 C    1.333200      -2.463200     -0.6002000    
 C    4.705200       1.638700       1.056800    
 C    3.168500       3.324300      0.2713000    
 C   -1.817600      0.6493000      -1.358300    
 C    3.763400      -2.993000      0.6240000    
 C    1.041400       2.807400     -0.7912000    
 C    4.370800       2.983200      0.8776000    
 C  -0.9581000      0.3183000      0.8752000    
 C   -3.309300      0.7608000      0.5390000    
 C   -3.098600      0.8337000     -0.8379000    
 C    1.723600      -3.782900     -0.3931000    
 C   -2.239000      0.5031000       1.395600    
 C    2.941300      -4.047900      0.2202000    
 C   -5.309200      -1.460000       2.037000    
 C   -1.765300     -0.4869000      -3.446900    
 H   0.6131000      0.1758000      -2.028200    
 H   0.3765000      -2.296800      -1.087600    
 H    5.653000       1.397200       1.534600    
 H    2.928600       4.376500      0.1453000    
 H    4.712900      -3.226700       1.102400    
 H   0.1879000       2.703500     -0.1209000    
 H    1.102000       3.888800     -0.9789000    
 H   0.8824000       2.396900      -1.791100    
 H    5.051600       3.760100       1.213400    
 H  -0.1446000      0.1191000       1.568000    
 H   -3.925000       1.047400      -1.511500    
 H    1.081600      -4.599200     -0.7098000    
 H   -2.391800      0.4428000       2.470100    
 H    3.255600      -5.074200      0.3862000    
 H   -4.631500       1.362000       2.014700    
 H   -5.326900     -0.9769000       3.015700    
 H   -6.029500      -2.281100       2.018300    
 H   -4.313900      -1.840900       1.803000    
 H   -2.788900     -0.8678000      -3.373400    
 H   -1.058800      -1.242900      -3.091100    
 H   -1.547200     -0.2723000      -4.496600    


%chk=000124194-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124194

0 1
S -5.834292 -0.264880 0.935294
O -1.521344 -0.116895 -2.693296
O -7.296475 0.201892 1.490317
O -5.681907 -0.961803 -0.539495
N 0.569776 -0.071429 -1.096690
N 4.221231 -0.692478 1.086031
N -4.496600 1.451588 0.869341
C 1.811901 -0.213094 -0.405200
C 2.547575 0.904910 0.108552
C 2.311887 -1.545112 -0.238971
C 3.735096 0.577411 0.916698
C 2.254413 2.312291 -0.144974
C 3.558340 -1.729539 0.490778
C -0.641004 0.311451 -0.525937
C 1.626901 -2.710834 -0.733555
C 4.472834 1.626169 1.567214
C 3.028725 3.281099 0.504664
C -1.798243 0.309314 -1.382842
C 4.100539 -3.054578 0.635325
C 1.207878 2.798038 -1.135601
C 4.110656 2.952673 1.384570
C -0.806525 0.674161 0.839568
C -3.212626 1.061662 0.469548
C -3.051294 0.695249 -0.908101
C 2.177741 -3.980293 -0.572224
C -2.074779 1.010127 1.337258
C 3.432646 -4.154452 0.106668
C -5.155408 -1.585836 2.182886
C -2.661518 -0.240350 -3.614036
H 0.483121 -0.477818 -2.034114
H 0.656179 -2.600173 -1.228081
H 5.325883 1.324516 2.181355
H 2.812256 4.337980 0.309502
H 5.045000 -3.150913 1.179290
H 0.177337 2.680592 -0.756358
H 1.365456 3.870231 -1.343257
H 1.260228 2.251360 -2.092701
H 4.669927 3.756674 1.874887
H 0.063515 0.667543 1.502241
H -3.937791 0.716173 -1.545179
H 1.646854 -4.858475 -0.955620
H -2.192553 1.262361 2.398437
H 3.850249 -5.160870 0.218934
H -4.529531 1.753600 1.867252
H -5.287454 -1.167410 3.190142
H -5.775470 -2.477851 2.016667
H -4.102495 -1.757245 1.919237
H -3.107112 0.751133 -3.816504
H -3.430382 -0.916906 -3.197479
H -2.242339 -0.659660 -4.539941


