%chk=000084376.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084376

1 1
 S    4.816400       2.107700     -2.8000001E-02
 O    2.600200      0.4397000      -1.677100    
 O   0.7549000      -3.758500      -2.465700    
 O    4.925300       3.715600      0.2208000    
 O    5.203800       1.818200      -1.395400    
 O    5.419600       1.418600       1.097000    
 N   0.9016000      -1.221800      0.2563000    
 N  -0.5324000      -1.930900       2.004500    
 C    1.748500      -1.937500       1.299200    
 C    1.164700      0.2729000      0.2531000    
 C  -0.4714000      -1.505500      0.7800000    
 C    1.127700      -1.805100      -1.121400    
 C   0.8476000      -1.936100       2.514400    
 C    2.571900      0.5778000     -0.2568000    
 C   -1.700600      -1.352900     -5.9999999E-02
 C   0.5147000      -3.190100      -1.185200    
 C   -2.637100     -0.2979000      0.5215000    
 C    3.057600       1.976600      0.1056000    
 C   -3.956100     -0.1105000     -0.2377000    
 C   -4.858200      0.9699000      0.3630000    
 C   -6.143100       1.134500     -0.4524000    
 C   -7.031500       2.235600      0.1260000    
 C   -8.323800       2.379700     -0.6616000    
 H    1.969200      -2.957600      0.9799000    
 H    2.690100      -1.423300       1.496100    
 H   0.4047000      0.7329000     -0.3898000    
 H    1.026300      0.6283000       1.280600    
 H    2.204800      -1.878800      -1.306700    
 H   0.6722000      -1.151800      -1.874000    
 H    1.024100      -2.821500       3.132800    
 H    1.009300      -1.049100       3.137100    
 H    3.297900     -0.1414000      0.1274000    
 H   -2.228500      -2.312900     -8.1600003E-02
 H   -1.448400      -1.072400      -1.085500    
 H  -0.5646000      -3.219000      -1.071200    
 H   0.9417000      -3.884400     -0.4588000    
 H   -2.870500     -0.5513000       1.563800    
 H   -2.108600      0.6637000      0.5589000    
 H    2.625800       2.723500     -0.5689000    
 H    2.806600       2.228300       1.141100    
 H   -4.495900      -1.065500     -0.2557000    
 H   -3.730000      0.1451000      -1.280300    
 H    3.518200      0.5612000      -1.972200    
 H   -5.107000      0.7067000       1.398000    
 H   -4.316000       1.922800      0.3922000    
 H   0.3630000      -4.648600      -2.465000    
 H   -6.692600      0.1853000     -0.4647000    
 H   -5.891700       1.375900      -1.492500    
 H   -7.272100       2.009300       1.171300    
 H   -6.494400       3.191200      0.1162000    
 H    4.731900       4.016900       1.139600    
 H   -8.901000       1.449700     -0.6424000    
 H   -8.943400       3.172800     -0.2315000    
 H   -8.120000       2.636400      -1.706100    


%chk=000084376-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084376

1 1
S 4.101101 2.868179 0.113938
O 3.323263 -0.207307 -0.565424
O 1.338771 -4.056077 -2.489353
O 4.145840 3.831631 -1.443972
O 5.199158 1.656919 0.073081
O 4.045728 3.823863 1.407013
N 0.876932 -1.483134 0.210644
N -0.655464 -2.705401 1.606098
C 1.661124 -1.998829 1.431268
C 0.977461 0.042490 0.035070
C -0.628529 -1.902133 0.605597
C 1.255384 -2.186545 -1.112896
C 0.705472 -3.022686 2.107287
C 2.405740 0.618745 0.199126
C -1.781652 -1.372470 -0.195719
C 1.185900 -3.722543 -1.074845
C -2.627393 -0.306420 0.571470
C 2.382468 2.077715 -0.303188
C -3.894863 0.081484 -0.221462
C -4.743444 1.158437 0.493120
C -6.034320 1.511413 -0.280842
C -6.882333 2.600987 0.415163
C -8.174158 2.937190 -0.359958
H 2.629757 -2.397405 1.102198
H 1.832210 -1.144826 2.104216
H 0.589778 0.267527 -0.972080
H 0.314735 0.501944 0.788462
H 2.265384 -1.838115 -1.373841
H 0.542915 -1.833675 -1.878335
H 0.935876 -4.071738 1.850060
H 0.724398 -2.942237 3.205775
H 2.689033 0.619381 1.274763
H -2.442140 -2.228123 -0.429271
H -1.443863 -0.956586 -1.162538
H 0.212283 -4.083222 -0.681879
H 2.007410 -4.151471 -0.464428
H -2.910106 -0.722309 1.556545
H -2.020664 0.602018 0.764322
H 2.334445 2.149560 -1.400735
H 1.657571 2.738061 0.199030
H -4.514240 -0.824735 -0.381083
H -3.611028 0.449266 -1.229547
H 4.246772 0.190643 -0.470520
H -5.012254 0.802899 1.509083
H -4.138002 2.078522 0.632203
H 1.455561 -5.031073 -2.612082
H -6.649194 0.596201 -0.406244
H -5.771507 1.853155 -1.303789
H -7.141889 2.263528 1.439132
H -6.272096 3.519517 0.534564
H 4.932974 4.451170 -1.442223
H -8.818923 2.044682 -0.464597
H -8.761413 3.717292 0.156722
H -7.944568 3.307038 -1.376898


