%chk=000086005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086005

0 1
 S   0.2066000       2.705500      -1.567900    
 S   -1.391200      -4.286600     -0.5243000    
 O   -4.239800       1.877000      5.1700000E-02
 O  -3.0600000E-02  -4.582400     -0.9710000    
 O   -1.971400      -5.276300      0.3825000    
 O   -2.292600      -3.804400      -1.569700    
 N   0.1807000      0.6441000     -0.1449000    
 C    1.522000      0.9388000     -0.2853000    
 C  -0.3944000     -0.4601000      0.5919000    
 C  -0.5729000      -1.709100     -0.2667000    
 C    1.731900       2.074200      -1.059500    
 C  -0.6423000       1.468800     -0.7540000    
 C    2.620300      0.2232000      0.2600000    
 C    3.928800      0.6987000     -7.0000002E-03
 C   -1.177600      -2.870800      0.5080000    
 C    3.022000       2.548900      -1.326200    
 C    4.108000       1.847000     -0.7911000    
 C   -2.047400       1.394600     -0.7685000    
 C    2.438600     -0.9319000       1.048200    
 C    5.023200     -5.0000002E-04  0.5258000    
 C   -2.863700       1.943900      0.1672000    
 C    3.543300      -1.607400       1.565000    
 C    4.830700      -1.143400       1.304900    
 C   -2.345300       2.713000       1.354800    
 C   -2.204800       4.198400       1.054000    
 C   -4.737300      0.7122000      0.6788000    
 C   -6.244700      0.6846000      0.5431000    
 H   -1.406800     -0.1948000      0.9243000    
 H   4.6599999E-02 -0.5751000       1.581900    
 H   0.3903000      -2.004400     -0.6977000    
 H   -1.210200      -1.465900      -1.125500    
 H   -2.161100      -2.603200      0.9085000    
 H  -0.5307000      -3.162600       1.341800    
 H    3.184000       3.435700      -1.930900    
 H    5.111100       2.216300     -0.9992000    
 H   -2.503200      0.8786000      -1.610400    
 H    1.532500      -1.460500       1.250300    
 H    6.040100      0.3382000      0.3378000    
 H    3.404000      -2.509900       2.153900    
 H    5.689100      -1.675400       1.705100    
 H   -3.030700       2.584500       2.201200    
 H   -1.381800       2.320300       1.698500    
 H   -3.167300       4.632800      0.7626000    
 H   -1.490300       4.393300      0.2512000    
 H   -1.855700       4.728800       1.946100    
 H   -4.474000      0.7026000       1.743500    
 H   -4.320000     -0.1862000      0.2066000    
 H   -6.664000     -0.2073000       1.017500    
 H   -6.689900       1.572300       1.004600    
 H   -6.537500      0.6935000     -0.5121000    


%chk=000086005-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086005

0 1
S 0.218503 2.943710 0.239552
S -2.825409 -2.848616 0.300265
O -4.286906 1.716127 0.632061
O -3.525274 -4.296096 0.557392
O -2.742095 -1.838291 1.646636
O -3.317419 -1.992069 -1.033404
N 0.424198 0.342388 0.612808
C 1.776166 0.778016 0.442583
C 0.024241 -1.065078 0.905885
C -0.243379 -1.881797 -0.383288
C 1.848805 2.176378 0.276004
C -0.552693 1.326514 0.520923
C 3.006972 0.001319 0.432777
C 4.250895 0.758742 0.340969
C -0.943385 -3.208883 -0.076241
C 3.059254 2.903514 0.161505
C 4.249762 2.188710 0.215524
C -1.948131 1.094674 0.612455
C 3.119148 -1.430836 0.469814
C 5.507157 0.069660 0.352175
C -2.972788 2.057890 0.595873
C 4.362513 -2.070454 0.469059
C 5.573344 -1.320867 0.424874
C -2.853330 3.566707 0.517952
C -2.882266 4.079654 -0.950065
C -4.758565 0.273933 0.604664
C -6.277881 0.323341 0.599943
H -0.904311 -1.069712 1.510542
H 0.805760 -1.512228 1.538011
H 0.693959 -2.070829 -0.941628
H -0.905218 -1.305470 -1.061048
H -0.584409 -3.741462 0.819364
H -0.985253 -3.880812 -0.947083
H 3.049256 3.990590 0.044316
H 5.209768 2.710931 0.146778
H -2.267962 0.045747 0.740142
H 2.235096 -2.064004 0.473338
H 6.424889 0.665759 0.291747
H 4.400337 -3.164477 0.493791
H 6.539780 -1.834462 0.431733
H -3.722557 3.982637 1.057125
H -1.947471 3.923361 1.037996
H -3.814445 3.757354 -1.444536
H -2.029517 3.700075 -1.539618
H -2.845046 5.182956 -0.964739
H -4.340031 -0.244462 1.487289
H -4.336442 -0.219549 -0.293244
H -6.656628 -0.713939 0.570177
H -6.673236 0.810905 1.507941
H -6.663160 0.854400 -0.287686


