%chk=000117481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117481

0 1
 S    8.933000      0.2879000      0.3786000    
 O    7.530800     -0.4186000      1.4900000E-02
 O    9.875300      -1.005600      0.2221000    
 O    9.279900       1.234000     -0.7329000    
 N    3.933000      0.3385000      0.1745000    
 C   -3.629000      0.3380000      9.2799999E-02
 C   -2.337700     -0.4179000     -0.2337000    
 C   -4.897700     -0.4587000     -0.2237000    
 C   -1.070200      0.3485000      0.1508000    
 C   -6.152000      0.3164000      0.1885000    
 C   0.1885000     -0.4375000     -0.2259000    
 C   -7.455700     -0.4238000     -0.1250000    
 C    1.457100      0.3425000      0.1333000    
 C   -8.710400      0.3816000      0.2192000    
 C    2.742400     -0.4332000     -0.1603000    
 C   -9.979100     -0.3734000     -0.1804000    
 C   -11.22900      0.4371000      0.1238000    
 C    5.141900     -0.4242000     -0.1041000    
 C    6.378800      0.3684000      0.2874000    
 H   -3.643600       1.282700     -0.4645000    
 H   -3.625900      0.5993000       1.158400    
 H   -2.318000     -0.6401000      -1.307800    
 H   -2.345100      -1.382700      0.2887000    
 H   -4.872400      -1.419100      0.3049000    
 H   -4.933600     -0.6796000      -1.297100    
 H   -1.074400      0.5471000       1.229300    
 H   -1.063600       1.320200     -0.3576000    
 H   -6.159500       1.285300     -0.3264000    
 H   -6.112200      0.5300000       1.263800    
 H   0.1894000      -1.401000      0.2980000    
 H   0.1852000     -0.6529000      -1.301100    
 H   -7.471700     -0.6745000      -1.193100    
 H   -7.470900      -1.374000      0.4231000    
 H    1.465000       1.288000     -0.4242000    
 H    1.430500      0.6036000       1.199100    
 H   -8.678900       1.346400     -0.3012000    
 H   -8.726800      0.5944000       1.294800    
 H    2.728900      -1.364900      0.4185000    
 H    2.758500     -0.7042000      -1.223200    
 H   -9.954400     -0.6037000      -1.251900    
 H   -10.02820      -1.328200      0.3559000    
 H    3.941700       1.208800     -0.3564000    
 H   -11.30120      0.6599000       1.193200    
 H   -11.22600       1.384100     -0.4253000    
 H   -12.12360     -0.1219000     -0.1680000    
 H    5.139400      -1.370500      0.4514000    
 H    5.203100     -0.6861000      -1.168000    
 H    6.423300       1.302300     -0.2876000    
 H    6.344900      0.6135000       1.357000    
 H    10.75840     -0.7465000     -0.1317000    


%chk=000117481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117481

0 1
S 8.878028 0.137950 -0.571027
O 7.836714 -0.352574 0.911534
O 8.393775 -1.162101 -1.781960
O 8.220214 1.523705 -1.082364
N 4.141217 0.266832 0.499224
C -3.505521 0.367921 0.180348
C -2.210344 -0.425575 -0.103574
C -4.790173 -0.400374 -0.204041
C -0.925265 0.337575 0.289241
C -6.086586 0.391844 0.078089
C 0.367860 -0.456396 -0.002559
C -7.370896 -0.380917 -0.298985
C 1.651047 0.302813 0.402734
C -8.668305 0.409516 -0.016160
C 2.935178 -0.492267 0.099344
C -9.952310 -0.366820 -0.388697
C -11.243762 0.429662 -0.102337
C 5.425475 -0.407085 0.269443
C 6.544058 0.357657 1.001462
H -3.475038 1.330103 -0.372730
H -3.545109 0.630853 1.258328
H -2.168391 -0.683293 -1.182787
H -2.244612 -1.390390 0.444639
H -4.820797 -1.361797 0.350410
H -4.750257 -0.665085 -1.281644
H -0.964469 0.589891 1.369488
H -0.893000 1.304720 -0.254927
H -6.059222 1.351054 -0.480319
H -6.124296 0.660850 1.154688
H 0.329878 -1.426165 0.536255
H 0.408452 -0.702385 -1.084433
H -7.333717 -0.650097 -1.375630
H -7.397610 -1.340133 0.259580
H 1.684176 1.274512 -0.135426
H 1.627782 0.540325 1.484025
H -8.645429 1.367314 -0.577324
H -8.705604 0.681556 1.059749
H 2.925667 -1.441526 0.671092
H 2.945177 -0.771595 -0.985233
H -9.914345 -0.638044 -1.463721
H -9.974127 -1.323626 0.172129
H 4.129518 1.224939 0.122959
H -11.321818 0.684867 0.971533
H -11.259020 1.377574 -0.672985
H -12.146274 -0.145910 -0.379344
H 5.366342 -1.432731 0.677955
H 5.690226 -0.509263 -0.818424
H 6.649222 1.388762 0.600788
H 6.335162 0.411929 2.083709
H 7.449328 -1.002877 -2.081217


