%chk=000177528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177528

0 1
 S    1.713900      -1.663300     -0.1961000    
 S   -1.714200      -1.662900     -0.1961000    
 S    0.000000      0.9278000       1.308800    
 P  -9.9999997E-05  -1.138900      0.9082000    
 O  -9.9999997E-05  -1.896900       2.212000    
 C    3.122100      -1.202800      0.8326000    
 C   -3.122400      -1.202500      0.8326000    
 C    0.000000       1.758100     -0.2919000    
 C    4.435300      -1.519500      0.1716000    
 C   -4.435500      -1.518900      0.1715000    
 C   9.9999997E-05   3.255700     -0.1543000    
 C    5.043600     -0.5663000     -0.6347000    
 C   -5.023500      -2.760400      0.3754000    
 C    1.208300       3.937700     -9.1600001E-02
 C    5.023600      -2.760800      0.3758000    
 C   -5.044300     -0.5656000     -0.6344000    
 C   -1.207800       3.938200     -9.2100002E-02
 C    6.261800     -0.8598000      -1.247800    
 C   -6.241700      -3.053900     -0.2376000    
 C    1.208500       5.326700      3.5799999E-02
 C    6.241800      -3.054100     -0.2372000    
 C   -6.262400     -0.8592000      -1.247300    
 C   -1.207400       5.327300      3.5200000E-02
 C    6.860800      -2.103500      -1.048900    
 C   -6.861100      -2.103400      -1.048700    
 C   7.9999998E-04   6.021500      9.9200003E-02
 H    3.047200      -1.724600       1.793300    
 H    3.067300     -0.1324000       1.059700    
 H   -3.067500     -0.1321000       1.059900    
 H   -3.047500      -1.724300       1.793400    
 H  -0.8767000       1.435300     -0.8644000    
 H   0.8764000       1.435200     -0.8646000    
 H    4.585400      0.4054000     -0.7971000    
 H   -4.549700      -3.508600       1.004700    
 H    2.155000       3.406500     -0.1392000    
 H    4.549900      -3.508900       1.005300    
 H   -4.586400      0.4062000     -0.7967000    
 H   -2.154600       3.407400     -0.1399000    
 H    6.743700     -0.1199000      -1.880100    
 H   -6.707800      -4.022700     -8.3200000E-02
 H    2.149100       5.867300      8.5800000E-02
 H    6.708200      -4.022600     -8.2800001E-02
 H   -6.744700     -0.1193000      -1.879300    
 H   -2.147800       5.868300      8.4899999E-02
 H    7.809200      -2.332000      -1.526400    
 H   -7.809500      -2.332000      -1.526100    
 H   8.9999998E-04   7.103000      0.1984000    


%chk=000177528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177528

0 1
S 0.393651 -1.651017 -0.545928
S -2.675926 0.038977 -0.677516
S 0.101895 1.454682 1.401314
P -1.022233 -0.488359 0.841593
O -1.561045 -1.228337 2.158585
C 1.867673 -1.953412 0.680207
C -4.169262 -0.445163 0.466250
C 0.331081 2.131158 -0.388884
C 3.164310 -1.406590 0.141305
C -4.713641 -1.816726 0.169298
C 1.026556 3.468461 -0.306123
C 3.621733 -0.118184 0.524224
C -4.161446 -2.958542 0.809101
C 2.420407 3.570563 -0.554061
C 3.956554 -2.180857 -0.746867
C -5.791135 -1.985529 -0.738560
C 0.295797 4.643324 0.014017
C 4.847217 0.382162 0.030923
C -4.681915 -4.243244 0.542563
C 3.068641 4.824277 -0.492807
C 5.178391 -1.678112 -1.245755
C -6.310414 -3.271941 -1.004944
C 0.944074 5.895411 0.078940
C 5.628625 -0.395011 -0.856360
C -5.756433 -4.404608 -0.364541
C 2.333018 5.989466 -0.174769
H 1.884001 -3.046851 0.806721
H 1.579101 -1.485140 1.635260
H -4.894562 0.360839 0.270483
H -3.786143 -0.362659 1.496964
H -0.682602 2.207332 -0.815920
H 0.920618 1.382759 -0.941572
H 3.015838 0.485593 1.211164
H -3.326130 -2.826748 1.507698
H 2.990580 2.668450 -0.806430
H 3.614425 -3.179429 -1.045831
H -6.223142 -1.108173 -1.236233
H -0.780181 4.570767 0.212220
H 5.197813 1.371238 0.348122
H -4.252018 -5.118339 1.042760
H 4.143147 4.893261 -0.696325
H 5.780713 -2.286456 -1.929541
H -7.144387 -3.390781 -1.705802
H 0.369588 6.795619 0.323745
H 6.580309 -0.007210 -1.236518
H -6.158869 -5.403182 -0.569239
H 2.835924 6.961766 -0.127333


