%chk=000164686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164686

0 1
 S   -3.091600     -0.8708000       2.300600    
 S   -1.759000       2.725700     -0.7373000    
 S    5.783700      -1.098200     -7.5300001E-02
 O   -4.684200     -0.9819000       1.975500    
 O  -0.7370000       3.420800      -1.801900    
 O   -2.904400     -4.4900000E-02   3.473500    
 O   -2.491300      -2.181500       2.176400    
 O   -2.008800       3.666900      0.3351000    
 O   -2.840300       2.111300      -1.480500    
 O    5.641800      -2.163300      -1.058200    
 O    6.886500     -0.1537000     -0.1867000    
 N   0.6891000       1.961700      0.1243000    
 N    5.809900      -1.789800       1.486900    
 C   -1.227200      0.6586000       1.036900    
 C   -2.645200      8.3800003E-02  0.8657000    
 C  -0.6340000       1.431600     -0.1601000    
 C   -2.858600     -0.8223000     -0.3235000    
 C    1.875500       1.249100      7.8599997E-02
 C   -4.108600     -0.8776000     -0.9187000    
 C   -1.800300      -1.580900     -0.7975000    
 C    3.090800       1.841400      0.4712000    
 C    1.899300     -8.7700002E-02 -0.3630000    
 C   -4.305900      -1.714300      -2.017200    
 C   -1.997800      -2.417500      -1.896100    
 C    4.287700     -0.2000000     -1.6600000E-02
 C   -3.250500      -2.484100      -2.506000    
 C    4.286000       1.123500      0.4240000    
 C    3.094300     -0.8056000     -0.4101000    
 H   -1.243900       1.341900       1.898200    
 H  -0.5311000     -0.1348000       1.338100    
 H   -3.351800      0.9223000      0.8398000    
 H  -0.5733000      0.7863000      -1.042300    
 H   0.7362000       2.898600      0.5116000    
 H   -4.936100     -0.2726000     -0.5603000    
 H  -0.8342000      -1.598400     -0.3117000    
 H    3.107500       2.872100      0.8186000    
 H    1.007200     -0.5981000     -0.6980000    
 H   -5.205100     -0.1564000       2.115000    
 H   -5.280400      -1.764000      -2.494000    
 H   -1.179700      -3.027200      -2.268400    
 H   1.1500000E-02   3.925200      -1.405000    
 H   -3.404700      -3.137200      -3.359900    
 H    5.202500       1.612900      0.7412000    
 H    3.072500      -1.835700     -0.7546000    
 H    6.498100      -1.426600       2.157600    
 H    5.649000      -2.801500       1.563300    


%chk=000164686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000164686

0 1
S -4.391241 0.224670 2.212755
S -0.938817 2.095526 -1.045020
S 6.468568 0.402990 -0.675632
O -5.604730 1.230059 1.226453
O -0.279045 0.779521 -2.311593
O -3.860703 1.090186 3.482232
O -5.021236 -1.238411 2.503226
O 0.151131 3.302082 -0.970481
O -2.438213 2.495262 -1.574187
O 6.478209 0.554573 -2.295922
O 7.372741 1.308251 0.331901
N 0.721744 0.877582 1.247434
N 6.883181 -1.352106 -0.302297
C -1.667234 0.374728 1.529898
C -2.961905 0.254201 0.710389
C -0.421582 0.433482 0.670136
C -3.157673 -0.929075 -0.162308
C 2.057270 0.774457 0.742266
C -3.729546 -0.735990 -1.451010
C -2.786579 -2.240744 0.248324
C 3.111953 1.079397 1.640652
C 2.319206 0.389871 -0.597264
C -3.908166 -1.832596 -2.317624
C -2.969901 -3.333587 -0.620762
C 4.682300 0.545241 -0.101174
C -3.528618 -3.131790 -1.906092
C 4.449079 0.963912 1.217848
C 3.658027 0.269487 -1.020239
H -1.735970 1.251253 2.202811
H -1.554111 -0.512502 2.190121
H -3.262131 1.199221 0.228565
H -0.327489 -0.264980 -0.168352
H 0.627688 1.411840 2.119287
H -4.003875 0.276302 -1.766863
H -2.385319 -2.415278 1.253460
H 2.893746 1.400592 2.666100
H 1.507141 0.250661 -1.322324
H -6.481159 1.219606 1.709199
H -4.340646 -1.676471 -3.311343
H -2.693523 -4.342590 -0.297138
H -0.470188 1.112786 -3.232505
H -3.672291 -3.984145 -2.579261
H 5.284900 1.209273 1.879822
H 3.898709 0.007881 -2.055382
H 7.680237 -1.357038 0.356202
H 7.090161 -1.830490 -1.195104


