%chk=000153099.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153099

0 1
 S   -2.561500       2.132300     -0.6599000    
 O    1.428800      -1.198600     -0.3662000    
 O   -2.273200      0.8028000       1.599600    
 O   0.2582000      9.3999997E-02  -1.860900    
 N  -0.7946000      -1.009700     -0.1127000    
 N   -7.920800      -3.016500      0.4022000    
 C   -3.145200      -1.645700      8.9599997E-02
 C   -4.600300      -1.237100     -0.1554000    
 C   -2.147700     -0.5847000     -0.3816000    
 C   -5.566800      -2.349400      0.2597000    
 C   -7.015900      -1.953500     -1.8600000E-02
 C   -2.312900      0.7218000      0.3768000    
 C   0.2926000     -0.6346000     -0.8747000    
 C   -1.816700       3.424600      0.3581000    
 C  -0.3169000       3.439700      0.2481000    
 C    2.642600     -0.8932000      -1.062000    
 C    3.785600      -1.585800     -0.3797000    
 C   0.3029000       4.219500     -0.7285000    
 C   0.4545000       2.674600       1.122900    
 C    4.479200     -0.9424000      0.6453000    
 C    4.154400      -2.873300     -0.7701000    
 C    1.694000       4.233900     -0.8305000    
 C    1.845600       2.689000       1.020800    
 C    2.465300       3.468700      4.4100001E-02
 C    5.541700      -1.586100       1.279800    
 C    5.216800      -3.517000     -0.1355000    
 C    5.910400      -2.873400      0.8895000    
 H   -3.005900      -1.847000       1.160100    
 H   -2.936300      -2.589300     -0.4310000    
 H   -4.838000     -0.3269000      0.4070000    
 H   -4.740700      -1.008100      -1.218800    
 H   -2.257600     -0.4308000      -1.461000    
 H   -5.437600      -2.564500       1.328000    
 H   -5.322400      -3.269100     -0.2868000    
 H   -7.157000      -1.758000      -1.087200    
 H   -7.266900      -1.036200      0.5247000    
 H  -0.6183000      -1.577000      0.7115000    
 H   -7.715000      -3.868700     -0.1176000    
 H   -8.877800      -2.760100      0.1630000    
 H   -2.130300       3.334300       1.404300    
 H   -2.214500       4.388100      1.8100001E-02
 H    2.805100      0.1916000      -1.065600    
 H    2.565700      -1.227300      -2.104100    
 H  -0.2861000       4.819500      -1.417100    
 H  -7.6000001E-03   2.071400       1.898100    
 H    4.200400      5.9900001E-02  0.9595000    
 H    3.620400      -3.385800      -1.565800    
 H    2.176600       4.840200      -1.591400    
 H    2.446300       2.094400       1.702700    
 H    3.548300       3.479000     -3.5599999E-02
 H    6.081400      -1.085100       2.078100    
 H    5.503700      -4.519600     -0.4389000    
 H    6.737400      -3.374700       1.383700    


%chk=000153099-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153099

0 1
S -1.852659 1.953449 -0.431760
O 1.305236 -3.032913 0.899118
O -1.517204 0.706867 1.988117
O 0.194367 -2.785152 -1.177397
N -0.382587 -1.525740 0.713799
N -7.629198 -2.223351 -1.225703
C -2.831289 -1.601761 0.187357
C -4.021512 -0.985108 -0.577676
C -1.491468 -0.809075 0.065789
C -5.262144 -1.905648 -0.546107
C -6.474133 -1.304182 -1.286431
C -1.598967 0.564280 0.742886
C 0.351752 -2.465695 0.033367
C -1.994897 3.408800 0.821509
C -0.691442 4.139182 1.027766
C 2.239871 -4.023535 0.264623
C 3.488784 -3.354755 -0.268061
C -0.380322 5.297572 0.269621
C 0.239498 3.678937 1.996467
C 3.513429 -2.825007 -1.584691
C 4.649168 -3.252302 0.540287
C 0.838125 5.982897 0.472454
C 1.457341 4.363425 2.198617
C 1.760954 5.516969 1.437555
C 4.679268 -2.199973 -2.079395
C 5.816334 -2.628158 0.046133
C 5.833094 -2.100679 -1.266145
H -3.079900 -1.714369 1.260623
H -2.622878 -2.612901 -0.212481
H -4.286320 -0.000108 -0.145448
H -3.726938 -0.794481 -1.630729
H -1.246623 -0.691836 -1.005457
H -5.562940 -2.113038 0.498973
H -5.003667 -2.884851 -1.002738
H -6.160461 -1.036277 -2.326699
H -6.764446 -0.358307 -0.789024
H -0.193506 -1.350734 1.703182
H -7.452427 -3.135009 -1.660693
H -8.514125 -1.816185 -1.543248
H -2.355925 2.931447 1.747661
H -2.780890 4.047798 0.390098
H 1.685153 -4.545026 -0.534492
H 2.466040 -4.713606 1.092876
H -1.093426 5.662704 -0.480120
H 0.002140 2.783620 2.582496
H 2.611832 -2.896833 -2.203604
H 4.635745 -3.660217 1.558690
H 1.066449 6.877529 -0.117686
H 2.168084 3.999890 2.949144
H 2.706288 6.048040 1.595554
H 4.690045 -1.793195 -3.096794
H 6.708597 -2.555469 0.678111
H 6.738099 -1.617830 -1.652198


