%chk=000076886.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076886

0 1
 S  -0.6174000      -3.969800     -0.7564000    
 S   0.4100000      -3.852000       1.023400    
 S   -3.261600       2.315900       1.667500    
 S    3.011300       2.609200     -0.9340000    
 P   -4.446200       1.847000      0.1908000    
 P    4.537300       1.721300     -0.1053000    
 O   -4.717500      0.2636000     -5.9000000E-02
 O    4.636900      0.1128000     -0.2824000    
 O   -4.023200       2.355100      -1.295800    
 O   -5.968000       2.418300      0.2910000    
 O    4.721700       1.898200       1.501500    
 O    6.004900       2.185200     -0.6376000    
 C   -3.777200     -0.7074000     -0.2193000    
 C    3.663100     -0.8008000      1.8600000E-02
 C   -1.849600      -2.697300     -0.5467000    
 C    1.677900      -2.662400      0.6316000    
 C   -4.047800      -2.014100      0.1869000    
 C    3.578100      -1.992400     -0.7014000    
 C   -2.542700     -0.3957000     -0.7890000    
 C    2.755300     -0.5400000       1.045200    
 C   -3.084100      -3.009100      2.3100000E-02
 C    2.585600      -2.923200     -0.3951000    
 C   -1.578900      -1.390600     -0.9528000    
 C    1.762800      -1.470800       1.351700    
 C   -4.109800       3.732100      -1.620600    
 C   -6.839800       1.931100       1.297400    
 C    5.117400       3.151900       2.031400    
 C    6.401900       1.883900      -1.964800    
 H   -5.007500      -2.262300      0.6318000    
 H    4.283800      -2.201100      -1.500800    
 H   -2.298500      0.6060000      -1.123600    
 H    2.794200      0.3709000       1.631300    
 H   -3.313500      -4.021800      0.3456000    
 H    2.547000      -3.848800     -0.9642000    
 H  -0.6236000      -1.128800      -1.401200    
 H    1.064100      -1.250800       2.155200    
 H   -3.669900       3.885100      -2.609200    
 H   -3.559600       4.331900     -0.8917000    
 H   -5.156700       4.044700      -1.647300    
 H   -7.816200       2.405600       1.171500    
 H   -6.450900       2.180700       2.287400    
 H   -6.958500      0.8488000       1.204700    
 H    5.070300       3.099700       3.121900    
 H    4.446000       3.941600       1.685600    
 H    6.144100       3.377100       1.732200    
 H    7.422000       2.246600      -2.113700    
 H    5.742300       2.382200      -2.679100    
 H    6.383600      0.8038000      -2.130100    


%chk=000076886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076886

0 1
S -0.800923 -4.688525 -1.261158
S 0.531018 -4.871344 0.682426
S -1.681339 1.995599 1.798045
S 1.770845 1.946076 -1.654381
P -3.083810 1.970715 0.281030
P 3.203859 1.737364 -0.179862
O -3.806993 0.443227 -0.147398
O 3.864415 0.148961 0.108514
O -2.635227 2.529300 -1.279185
O -4.522195 2.880424 0.521332
O 2.816695 2.188511 1.430278
O 4.675947 2.600954 -0.385357
C -3.041555 -0.726036 -0.400359
C 3.041505 -1.000024 0.258264
C -1.690412 -3.136727 -0.903625
C 1.539565 -3.359920 0.513856
C -3.588900 -1.938648 0.078410
C 3.481251 -2.173739 -0.395981
C -1.835229 -0.695648 -1.134417
C 1.875328 -0.987970 1.054727
C -2.911278 -3.146049 -0.179956
C 2.728680 -3.356906 -0.260707
C -1.158191 -1.908996 -1.375277
C 1.120791 -2.173811 1.169820
C -1.761464 3.725308 -1.388527
C -5.196159 2.813286 1.840809
C 1.992212 3.403798 1.656003
C 5.320072 2.600141 -1.721411
H -4.527517 -1.918547 0.639676
H 4.393623 -2.142617 -0.998604
H -1.436006 0.248844 -1.516807
H 1.562926 -0.075304 1.571443
H -3.315371 -4.095403 0.184298
H 3.046198 -4.274469 -0.765150
H -0.217538 -1.908071 -1.933868
H 0.204115 -2.183561 1.766769
H -1.660606 3.880886 -2.472316
H -0.773008 3.522527 -0.939867
H -2.240245 4.601624 -0.918288
H -5.935724 3.626508 1.813236
H -4.471989 2.976554 2.659967
H -5.700100 1.838864 1.959798
H 1.959987 3.501007 2.750847
H 0.973411 3.256400 1.256117
H 2.472130 4.290842 1.207365
H 6.084783 3.387778 -1.659095
H 4.584262 2.836985 -2.511844
H 5.791061 1.620930 -1.913392


