%chk=000174435.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174435

0 1
 S  -0.2291000      -4.305000     -0.3802000    
 S    3.353800       2.201200      -1.539600    
 O  -0.5573000       2.406900      0.1823000    
 O   -4.571100      -1.117900      9.2500001E-02
 O  -0.7300000      -4.718500      -1.878500    
 O    1.219400      -4.423900     -0.3644000    
 O   -1.047600      -5.016200      0.5864000    
 O    4.585200       2.321000      -2.304300    
 O    2.120300       1.809500      -2.203500    
 N    1.261900      0.5514000     -5.7799999E-02
 N   -2.974400      -3.140000     -0.1512000    
 N    3.084500       3.657800     -0.6898000    
 C   -1.173700      0.1235000      2.6500000E-02
 C   -2.222200     -0.7986000      2.9000000E-03
 C   0.1498000     -0.3216000     -7.4400000E-02
 C   -1.947300      -2.165700     -0.1220000    
 C  -0.6268000      -2.604900     -0.2225000    
 C   -1.449700       1.568700      0.1568000    
 C   -2.850800       2.024500      0.2626000    
 C   -3.899300       1.102500      0.2396000    
 C   -3.623300     -0.3428000      0.1091000    
 C   0.4195000      -1.684800     -0.1985000    
 C    2.587300      0.3938000      0.3842000    
 C    3.639800       1.094800     -0.2124000    
 C   -3.125900       3.391600      0.3870000    
 C   -5.222800       1.547500      0.3408000    
 C    2.853400     -0.4806000       1.442100    
 C    4.946500      0.9226000      0.2448000    
 C    5.206300      4.8900001E-02   1.300600    
 C   -4.446300       3.830900      0.4871000    
 C   -5.492600       2.910900      0.4642000    
 C    4.159700     -0.6527000       1.899200    
 C    6.602800     -0.1350000       1.790600    
 H    1.443100      -2.026600     -0.3168000    
 H    1.056700       1.475400     -0.4229000    
 H   -2.329800       4.130900      0.4077000    
 H   -6.058200      0.8527000      0.3257000    
 H    2.058500      -1.020700       1.949600    
 H    5.771100       1.467400     -0.2078000    
 H   -2.765300      -4.120500     -0.2724000    
 H   -3.943400      -2.863400     -8.1799999E-02
 H   -4.658900       4.891700      0.5832000    
 H   -6.519700       3.255400      0.5425000    
 H    4.348500      -1.333000       2.725400    
 H    7.166300      0.8023000       1.730100    
 H    6.618800     -0.4509000       2.839200    
 H    7.114600     -0.8936000       1.190300    
 H  -0.2890000      -4.239800      -2.619300    
 H    3.810600       4.382500     -0.7426000    
 H    2.126900       4.029100     -0.6710000    


%chk=000174435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174435

0 1
S -0.173319 -4.352975 -0.189068
S 3.084685 2.420322 -1.264647
O -0.455755 2.507925 0.329523
O -4.674127 -1.042880 -0.076807
O -0.154149 -4.320799 -2.040349
O 1.327061 -4.596622 0.356201
O -1.373703 -5.342130 0.288123
O 4.463502 3.138705 -1.753118
O 2.028473 1.791854 -2.327750
N 1.234538 0.594064 0.487251
N -3.062125 -3.055564 -0.065057
N 2.242800 3.640506 -0.198898
C -1.174295 0.198250 0.218109
C -2.273671 -0.728029 0.086441
C 0.182080 -0.287106 0.313782
C -2.041298 -2.155525 0.012366
C -0.657235 -2.554953 0.032734
C -1.429358 1.649241 0.240364
C -2.819136 2.139764 0.161710
C -3.903758 1.223237 0.059158
C -3.662700 -0.240037 0.017490
C 0.412498 -1.690874 0.166367
C 2.608347 0.297267 0.643300
C 3.589471 1.085314 -0.010576
C -3.077081 3.535545 0.193042
C -5.232957 1.711928 -0.011100
C 3.095638 -0.713994 1.515165
C 4.966621 0.914685 0.166018
C 5.442563 -0.110554 1.023713
C -4.398522 4.011982 0.122860
C -5.480207 3.097007 0.020542
C 4.480131 -0.913496 1.687819
C 6.930204 -0.342796 1.201984
H 1.432275 -2.085497 0.133401
H 0.905846 1.592023 0.472661
H -2.227295 4.219217 0.274782
H -6.045642 0.984111 -0.091129
H 2.385813 -1.312331 2.094775
H 5.654600 1.571160 -0.379515
H -2.868259 -4.063217 -0.035807
H -4.014526 -2.645864 -0.095461
H -4.594542 5.089046 0.147307
H -6.508077 3.470800 -0.034323
H 4.818818 -1.701804 2.369603
H 7.488180 0.609418 1.227273
H 7.144637 -0.892453 2.134333
H 7.339747 -0.939000 0.363935
H 0.104021 -5.233724 -2.363313
H 2.675426 4.564067 -0.350635
H 1.214563 3.603486 -0.315284


