%chk=000084703.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084703

0 1
 S    2.480500       3.660300      0.4575000    
 O    1.729500       3.070600       1.564700    
 O    3.226000       4.872200      0.7940000    
 O    1.765400       3.709300     -0.8168000    
 N    3.572100      -1.277700     -0.8615000    
 C    2.811600      -1.815700      0.2902000    
 C    4.228600      6.4599998E-02 -0.5057000    
 C    2.168800      -3.150400     -6.6200003E-02
 C    4.681700      -2.250400      -1.288000    
 C    2.650200      -1.050100      -2.068600    
 C    1.306700      -3.789100       1.029000    
 C    3.169400       1.118900     -0.2139000    
 C   0.1440000      -2.935500       1.544200    
 C  -0.8206000      -2.491600      0.4415000    
 C    3.754200       2.474500      0.1585000    
 C   -2.008000      -1.720700       1.024700    
 C   -3.022200      -1.274200     -3.2200001E-02
 C   -4.196400     -0.4825000      0.5478000    
 C   -5.214000     -0.1255000     -0.5382000    
 C   -6.407600      0.6325000      4.5499999E-02
 C   -7.408000       1.018200      -1.043800    
 C   -8.612000       1.742400     -0.4628000    
 H    2.024300      -1.110400      0.5607000    
 H    3.495000      -1.924900       1.140500    
 H    4.854500      0.3680000      -1.353400    
 H    4.873000     -0.1084000      0.3641000    
 H    1.545300      -3.073100     -0.9618000    
 H    2.941100      -3.893000     -0.2943000    
 H    5.307500      -1.748000      -2.032500    
 H    4.243700      -3.142200      -1.742100    
 H    5.275000      -2.503600     -0.4047000    
 H    2.462200      -2.007500      -2.563500    
 H    3.159400     -0.3890000      -2.777100    
 H    1.704400     -0.6172000      -1.731300    
 H    1.949900      -4.044200       1.880500    
 H   0.9085000      -4.738500      0.6488000    
 H    2.520500       1.265000      -1.082300    
 H    2.526200      0.8073000      0.6127000    
 H   0.5337000      -2.056300       2.070400    
 H  -0.4050000      -3.522200       2.291300    
 H  -0.3050000      -1.850100     -0.2814000    
 H   -1.186100      -3.370000     -0.1035000    
 H    4.360700       2.401000       1.067300    
 H    4.384100       2.862000     -0.6490000    
 H   -1.636400     -0.8379000       1.559900    
 H   -2.519200      -2.348000       1.765600    
 H   -3.404300      -2.161200     -0.5528000    
 H   -2.511200     -0.6613000     -0.7851000    
 H   -4.686400      -1.077000       1.328300    
 H   -3.823300      0.4323000       1.023600    
 H   -4.728100      0.4870000      -1.307400    
 H   -5.567000      -1.040900      -1.028600    
 H   -6.055700       1.537000      0.5565000    
 H   -6.904600      8.7000001E-03  0.7985000    
 H   -7.750100      0.1199000      -1.570600    
 H   -6.921600       1.663500      -1.784500    
 H   -9.140400       1.109900      0.2576000    
 H   -9.313900       2.009800      -1.259000    
 H   -8.308200       2.663000      4.5699999E-02


%chk=000084703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084703

0 1
S 2.024190 1.533566 1.559778
O 3.329036 0.639166 2.099469
O 1.562760 2.771929 2.509649
O 0.803319 0.552926 0.977758
N 3.760683 -1.248138 -0.997614
C 2.740246 -1.758878 0.068961
C 4.034326 0.265280 -0.765141
C 2.212150 -3.180679 -0.173352
C 5.087313 -1.970840 -0.810441
C 3.255210 -1.483789 -2.409716
C 1.409565 -3.672567 1.067869
C 2.859560 1.206001 -1.127243
C 0.254188 -2.741509 1.514126
C -0.833401 -2.486937 0.445585
C 2.708857 2.332735 -0.095899
C -1.907181 -1.499140 0.955136
C -3.023623 -1.203507 -0.070815
C -4.086950 -0.223830 0.474248
C -5.205601 0.111247 -0.538275
C -6.265325 1.083433 0.026731
C -7.387482 1.427423 -0.979700
C -8.440486 2.397709 -0.401658
H 1.915577 -1.020195 0.115243
H 3.263602 -1.664142 1.037125
H 4.937211 0.500445 -1.358268
H 4.240264 0.355034 0.323560
H 1.548480 -3.205220 -1.058405
H 3.033340 -3.904073 -0.356182
H 5.790019 -1.653255 -1.597481
H 4.925934 -3.057023 -0.869681
H 5.488213 -1.705510 0.179148
H 3.216416 -2.564167 -2.610614
H 3.943450 -0.994499 -3.117864
H 2.248742 -1.054710 -2.511137
H 2.112518 -3.803986 1.915495
H 1.007165 -4.678162 0.829994
H 2.994622 1.633715 -2.138650
H 1.888760 0.670230 -1.120065
H 0.650205 -1.760772 1.840002
H -0.223295 -3.195780 2.406020
H -0.374464 -2.054236 -0.468563
H -1.304038 -3.447364 0.142195
H 3.642909 2.832923 0.204508
H 1.936321 3.063163 -0.379651
H -1.397914 -0.555064 1.233555
H -2.363988 -1.905165 1.882583
H -3.517596 -2.151516 -0.374932
H -2.571756 -0.775611 -0.990963
H -4.541895 -0.654881 1.390907
H -3.584420 0.713253 0.790735
H -4.753431 0.552839 -1.451510
H -5.704231 -0.827502 -0.860972
H -5.765898 2.020216 0.351376
H -6.717337 0.642085 0.939918
H -7.885125 0.490301 -1.304305
H -6.935558 1.870475 -1.890987
H -8.925483 1.966572 0.494668
H -9.232851 2.625105 -1.138855
H -7.973422 3.354477 -0.100403


