%chk=000106108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106108

0 1
 S    10.10540      0.2004000     -0.2545000    
 O    10.56470     -0.2704000      -1.751400    
 O    10.48370       1.599100     -0.1147000    
 O    10.57730     -0.7942000      0.6962000    
 N   -7.849700     -0.7065000     -0.2993000    
 N   -2.258500     -0.4269000     -0.2926000    
 N   -1.851600     -3.8699999E-02  0.8277000    
 N    4.178800     -0.1002000     -0.2739000    
 N    3.727900      0.2442000      0.8438000    
 N   -10.40040       3.417400     -9.0599999E-02
 C   -8.641800      0.4479000     -0.6753000    
 C   -8.524600      -1.928900      8.9800000E-02
 C   -6.441400     -0.6370000     -0.2992000    
 C   -8.952800       1.313600      0.5410000    
 C   -8.546800      -2.905300      -1.070400    
 C   -5.801600      0.5441000     -0.6753000    
 C   -5.687900      -1.748300      7.8800000E-02
 C   -4.408500      0.6138000     -0.6736000    
 C   -4.294900      -1.678600      8.0700003E-02
 C   -3.662200     -0.4979000     -0.2956000    
 C   -9.761900       2.489100      0.1868000    
 C    8.361600      0.1114000     -0.2608000    
 C  -0.4549000      3.1800002E-02  0.8311000    
 C    5.582400     -2.8400000E-02 -0.2684000    
 C    7.721700      -1.069700      0.1145000    
 C    7.608400       1.222600     -0.6399000    
 C    6.328500      -1.140000      0.1107000    
 C    6.215300       1.152500     -0.6437000    
 C    2.331200      0.1731000      0.8387000    
 C   0.1844000       1.213400      0.4562000    
 C   0.2988000      -1.079200       1.209700    
 C    1.577500       1.284100      0.4600000    
 C    1.691800      -1.008500       1.213600    
 H   -9.597100      9.5700003E-02  -1.091600    
 H   -8.214600       1.023500      -1.504400    
 H   -8.100500      -2.377900      0.9949000    
 H   -9.565100      -1.706100      0.3606000    
 H   -9.486200      0.7217000       1.294800    
 H   -8.024000       1.650400       1.016200    
 H   -9.092000      -3.811600     -0.7872000    
 H   -7.547000      -3.206900      -1.394200    
 H   -9.053500      -2.468500      -1.938200    
 H   -6.325100       1.449200     -0.9608000    
 H   -6.122000      -2.693300      0.3852000    
 H   -3.917100       1.538600     -0.9643000    
 H   -3.714500      -2.548500      0.3768000    
 H    8.287000      -1.950300      0.4061000    
 H    8.085200       2.150500     -0.9428000    
 H    5.837900      -2.064800      0.4018000    
 H    5.635900       2.021900     -0.9427000    
 H  -0.3941000       2.084800      0.1605000    
 H  -0.1903000      -2.004100       1.504500    
 H    2.066500       2.209600      0.1673000    
 H    2.270400      -1.879100       1.511500    
 H    10.24340      0.2979000      -2.490400    


%chk=000106108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106108

0 1
S 10.601999 0.067737 -0.105843
O 10.764834 1.452694 1.126266
O 11.052934 -1.309281 0.615390
O 11.292161 0.532623 -1.493954
N -8.177722 -0.630972 0.064704
N -2.512473 -0.780622 0.441121
N -1.800590 -0.062499 -0.408661
N 4.568099 0.379820 -0.687957
N 3.839051 -0.332627 0.141556
N -10.428989 2.893985 -2.537575
C -8.886248 0.100451 -0.993827
C -9.019068 -1.358525 1.044792
C -6.781721 -0.657409 0.130316
C -9.079524 1.611951 -0.631722
C -9.262080 -2.837143 0.666042
C -5.976818 0.108731 -0.786137
C -6.097125 -1.444976 1.115221
C -4.582448 0.090784 -0.717931
C -4.699517 -1.451812 1.180711
C -3.910868 -0.689234 0.273235
C -9.821892 2.336029 -1.674773
C 8.740342 0.153466 -0.245231
C -0.393143 -0.171728 -0.220485
C 5.978880 0.250193 -0.474293
C 8.195377 0.972159 -1.247794
C 7.975813 -0.620574 0.648775
C 6.791355 1.011351 -1.357690
C 6.576712 -0.570195 0.527563
C 2.435184 -0.222846 -0.046509
C 0.401989 0.599568 -1.121933
C 0.244437 -0.973875 0.774417
C 1.799164 0.579735 -1.042085
C 1.642071 -0.994342 0.854390
H -9.878368 -0.360980 -1.139471
H -8.353642 0.013829 -1.956534
H -8.560294 -1.284456 2.046954
H -9.989048 -0.831240 1.110965
H -9.627069 1.695049 0.325879
H -8.094193 2.090580 -0.483040
H -9.897370 -3.327859 1.425771
H -8.311924 -3.393868 0.596093
H -9.773976 -2.915843 -0.309843
H -6.450031 0.724794 -1.556444
H -6.656909 -2.062225 1.821863
H -3.978010 0.676410 -1.417403
H -4.178398 -2.054460 1.931982
H 8.844460 1.540700 -1.920374
H 8.467136 -1.248848 1.398284
H 6.299260 1.626372 -2.116966
H 5.926675 -1.148069 1.190172
H -0.119044 1.203009 -1.872444
H -0.379764 -1.557930 1.456141
H 2.422220 1.164490 -1.724781
H 2.163012 -1.598423 1.604732
H 11.738202 1.548849 1.342065


