%chk=000162502.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162502

0 1
 S    1.206800      -2.417000       1.371300    
 O   -4.577300      0.6577000     -0.4937000    
 O    2.562500      -1.393900      -2.278100    
 O   -6.783000       1.000400      3.5399999E-02
 O    6.264900      0.7301000       1.247700    
 C   -2.095700      0.5011000     -0.3670000    
 C   -1.196000     -0.7209000     -8.3800003E-02
 C   0.2600000     -0.5278000     -0.5487000    
 C   -3.475800     -5.6400001E-02  8.9800000E-02
 C   0.8730000      0.7293000      0.1507000    
 C   -1.515200       1.687900      0.4186000    
 C   -1.983000      -1.887500     -0.6743000    
 C    2.362700       1.017200     -0.2916000    
 C  -5.4299999E-02   1.972500      3.0700000E-02
 C   -3.458300      -1.519100     -0.4416000    
 C    1.146800      -1.785400     -0.3541000    
 C   -2.178500      0.8882000      -1.872100    
 C   -3.791200     -2.6000000E-03   1.581200    
 C    2.576400      -1.527900     -0.8538000    
 C    3.193500     -0.2756000     -0.2634000    
 C    2.968700       2.047000      0.7099000    
 C    2.434400       1.618300      -1.715300    
 C   -5.302200     -9.7300000E-02   1.606300    
 C   -5.671400      0.5860000      0.3246000    
 C    4.479000       2.185100      0.6008000    
 C    4.431800     -0.3528000      0.2561000    
 C    5.139500      0.8435000      0.7659000    
 C    2.182100      -3.900000       1.048500    
 H   -1.175600     -0.8727000       1.005600    
 H   0.2379000     -0.3384000      -1.628200    
 H   0.9014000      0.4981000       1.226200    
 H   -1.525300       1.485300       1.495600    
 H   -2.122600       2.587100      0.2615000    
 H   -1.733000      -2.837200     -0.1906000    
 H   -1.785800      -2.003000      -1.746100    
 H  -2.6799999E-02   2.378000     -0.9849000    
 H   0.3105000       2.771000      0.6863000    
 H   -4.023400      -1.616000      -1.376100    
 H   -3.909000      -2.220000      0.2700000    
 H   0.7033000      -2.584200     -0.9616000    
 H   -1.203800       1.107300      -2.314400    
 H   -2.628300      9.9799998E-02  -2.484000    
 H   -2.793200       1.786700      -2.002600    
 H   -3.520600      0.9664000       2.013500    
 H   -3.307000     -0.7843000       2.173500    
 H    3.226400      -2.389100     -0.6825000    
 H    2.728300       1.741900       1.738100    
 H    2.521500       3.037900      0.5687000    
 H    3.459400       1.616700      -2.104300    
 H    1.817900       1.066700      -2.431100    
 H    2.091900       2.658800      -1.730800    
 H   -5.721200      0.4294000       2.466900    
 H   -5.653300      -1.132300       1.579700    
 H    4.836700       2.848800       1.395800    
 H    4.781000       2.611100     -0.3610000    
 H    4.985700      -1.285700      0.2777000    
 H    2.195700      -2.215100      -2.647600    
 H    2.013400      -4.607600       1.865800    
 H    3.251000      -3.674000       1.033800    
 H    1.882400      -4.389200      0.1180000    


%chk=000162502-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162502

0 1
S 1.264488 -2.261899 1.459223
O -4.591521 0.637388 -0.490531
O 2.633110 -1.311090 -2.368114
O -6.780615 1.138685 0.104057
O 6.463681 0.875745 1.054163
C -2.070630 0.479324 -0.371842
C -1.135320 -0.745804 -0.128694
C 0.315023 -0.498842 -0.590275
C -3.433941 -0.139667 0.090700
C 0.900485 0.753808 0.136134
C -1.509615 1.674692 0.435114
C -1.907298 -1.950561 -0.727370
C 2.388551 1.090074 -0.295893
C -0.047121 1.983701 0.014479
C -3.414813 -1.585277 -0.515439
C 1.215018 -1.735841 -0.384915
C -2.195599 0.862063 -1.874968
C -3.744891 -0.135587 1.616972
C 2.650160 -1.467957 -0.882508
C 3.241085 -0.190231 -0.303663
C 2.988294 2.089929 0.743823
C 2.447110 1.714062 -1.729743
C -5.287782 -0.128935 1.670673
C -5.692586 0.615486 0.392998
C 4.511574 2.290338 0.608637
C 4.533475 -0.220679 0.146786
C 5.264125 0.963076 0.649488
C 1.684610 -4.083580 1.229713
H -1.090572 -0.902836 0.970988
H 0.314793 -0.317567 -1.685118
H 0.946996 0.487964 1.217339
H -1.512528 1.439130 1.518082
H -2.136336 2.576564 0.291633
H -1.636893 -2.897184 -0.226827
H -1.680386 -2.068071 -1.804269
H -0.039924 2.363373 -1.022856
H 0.332738 2.805306 0.649737
H -3.968268 -1.580937 -1.470415
H -3.924273 -2.303626 0.151923
H 0.790220 -2.605660 -0.922586
H -1.222254 1.141754 -2.310467
H -2.607139 0.037400 -2.481547
H -2.882546 1.717836 -1.984851
H -3.361673 0.785407 2.087543
H -3.293689 -1.000219 2.129774
H 3.307775 -2.320155 -0.616600
H 2.769079 1.711133 1.762706
H 2.484932 3.069213 0.646041
H 3.493973 1.831741 -2.059071
H 1.953874 1.066369 -2.472071
H 1.971914 2.710873 -1.740131
H -5.712251 0.372934 2.553864
H -5.717349 -1.147527 1.627587
H 4.908287 2.945454 1.404400
H 4.755032 2.783908 -0.354429
H 5.110536 -1.154483 0.125813
H 2.485577 -2.205594 -2.770958
H 1.688614 -4.528227 2.237146
H 2.681361 -4.205873 0.776970
H 0.917019 -4.578520 0.612544


