%chk=000103833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103833

0 1
 S   -3.959200      -1.980700     -0.8510000    
 S   -3.772300       2.649100     -0.5162000    
 S    4.552100       1.494100      0.4284000    
 O   -5.026400      -1.076200      -1.686100    
 O   -3.135400       4.150100     -0.4684000    
 O   -4.664800      -2.721800      0.1717000    
 O   -3.052800      -2.620200      -1.779900    
 O   -4.323700       2.346900      0.7887000    
 O   -4.562300       2.529100      -1.724700    
 O    5.036200       2.116800       1.654900    
 O    5.051800       1.981500     -0.8513000    
 N   -1.355900       1.877100      0.4242000    
 N    4.826100     -0.2028000      0.5458000    
 N    4.045700     -0.5892000      -1.655600    
 C   -2.462600      0.2818000      -1.135800    
 C   -3.097300     -0.6320000     -7.1800001E-02
 C   -2.216400       1.753400     -0.7406000    
 C   -2.145200      -1.260500      0.9179000    
 C   2.5900001E-02   1.786800      0.4252000    
 C  -0.8338000      -1.547400      0.5387000    
 C   -2.577400      -1.554500       2.211200    
 C   0.7266000       1.825000       1.630800    
 C   0.7171000       1.658100     -0.7795000    
 C   4.5200001E-02  -2.128200       1.452800    
 C   -1.698200      -2.135200       3.125300    
 C    2.809700       1.605700      0.4272000    
 C    2.118300       1.734300       1.631700    
 C    2.109100       1.567400     -0.7785000    
 C  -0.3870000      -2.422100       2.746100    
 C    4.159500      -1.062800     -0.3945000    
 C    3.679500      -2.295600      1.7400000E-02
 C    3.042100      -3.093900     -0.9259000    
 C    3.420200      -1.392800      -2.544700    
 C    2.905800      -2.641200      -2.233600    
 H   -1.543100     -0.1376000      -1.550800    
 H   -3.119600      0.3289000      -2.011800    
 H   -3.869400     -8.6700000E-02  0.4793000    
 H   -1.779700       2.268100      -1.605900    
 H   -1.812100       1.920900       1.329900    
 H  -0.4548000      -1.376700     -0.4614000    
 H   -3.594900      -1.333400       2.522300    
 H   0.1999000       1.921700       2.576900    
 H   0.2201000       1.628500      -1.743300    
 H   -4.791600     -0.8982000      -2.626900    
 H    1.061900      -2.360000       1.161700    
 H   -2.034500      -2.363500       4.132400    
 H   -2.792500       4.493400      -1.326800    
 H    2.642100       1.758100       2.583100    
 H    2.619300       1.509200      -1.734400    
 H   0.2973000      -2.875500       3.457300    
 H    4.969900     -0.5939000       1.485600    
 H    3.790600      -2.638800       1.040600    
 H    2.650900      -4.066200     -0.6422000    
 H    3.338500     -0.9930000      -3.550000    
 H    2.411200      -3.245800      -2.985000    


%chk=000103833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103833

0 1
S -5.938682 -1.247735 -0.785392
S -2.800013 2.597778 -1.080569
S 4.561387 1.142441 1.305390
O -6.184729 -0.072669 -2.217222
O -0.954067 3.146705 -0.994001
O -7.174492 -1.108470 0.242993
O -5.545972 -2.710002 -1.368573
O -3.389277 2.594315 0.459827
O -3.543180 3.641466 -2.086597
O 4.692302 0.988961 2.921555
O 5.080144 2.471271 0.540310
N -1.257277 0.077552 -0.044255
N 5.469674 -0.397098 0.757559
N 5.091905 -0.020952 -1.536941
C -3.296625 -0.475642 -1.362494
C -4.261881 -0.320053 -0.166482
C -1.951737 0.207482 -1.190642
C -3.872445 -0.920695 1.153616
C 0.109762 0.381553 0.221223
C -3.501274 -2.290722 1.275686
C -3.862848 -0.082204 2.303819
C 0.604449 0.000403 1.496426
C 0.950981 1.012184 -0.730811
C -3.121981 -2.808456 2.531554
C -3.471920 -0.607245 3.555335
C 2.769559 0.809113 0.839449
C 1.956434 0.218186 1.819324
C 2.307989 1.221127 -0.419081
C -3.103621 -1.968469 3.672388
C 5.882102 -0.577425 -0.570841
C 7.036364 -1.358515 -0.870734
C 7.351380 -1.585657 -2.223670
C 5.434056 -0.234791 -2.838306
C 6.541611 -1.014473 -3.235902
H -3.111303 -1.554756 -1.555612
H -3.777277 -0.068864 -2.268385
H -4.627068 0.713885 -0.058495
H -1.391878 0.451665 -2.097624
H -1.798053 -0.236735 0.776334
H -3.543672 -2.950498 0.401193
H -4.127841 0.975196 2.195410
H -0.063900 -0.464469 2.231130
H 0.555039 1.389513 -1.674795
H -7.145075 -0.115535 -2.490884
H -2.853567 -3.865936 2.625883
H -3.461311 0.043337 4.435842
H -0.931098 4.121386 -0.773479
H 2.366783 -0.043785 2.799001
H 2.994558 1.690763 -1.127597
H -2.813443 -2.375914 4.646954
H 6.092472 -0.683973 1.525229
H 7.656812 -1.772061 -0.069157
H 8.227703 -2.188041 -2.484844
H 4.787842 0.242891 -3.583300
H 6.765898 -1.157733 -4.296245


