%chk=000018680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018680

0 1
 S  -9.9699996E-02  -2.849800      -2.032800    
 S   0.5411000      -3.817900       1.268100    
 P   1.1300000E-02  -2.386400      3.9099999E-02
 O   -1.440600      -1.786100      0.4850000    
 O   0.9290000      -1.045700      0.2115000    
 C   -4.063600      0.7804000     -0.3207000    
 C    4.409900      0.3169000     -0.1345000    
 C   -5.401800       1.181100      0.3065000    
 C    5.061900       1.677200      0.1296000    
 C   -3.368600     -0.3665000      0.4113000    
 C    2.913300      0.2907000      0.1715000    
 C   -6.109000       2.312500     -0.4406000    
 C    6.554700       1.710100     -0.2001000    
 C   -2.029000     -0.7071000     -0.2281000    
 C    2.316800      -1.088700     -7.4600004E-02
 C   -7.394900       2.721700      0.2618000    
 C    7.169200       3.057700      0.1471000    
 H   -3.401300       1.655000     -0.3354000    
 H   -4.230500      0.4927000      -1.366100    
 H    4.917100     -0.4444000      0.4712000    
 H    4.568100      4.2300001E-02  -1.184900    
 H   -5.228500       1.485800       1.346300    
 H   -6.060400      0.3043000      0.3400000    
 H    4.545200       2.444400     -0.4604000    
 H    4.917600       1.940000       1.185100    
 H   -3.212300     -0.1041000       1.464900    
 H   -4.009700      -1.256700      0.4150000    
 H    2.388300       1.031900     -0.4438000    
 H    2.734400      0.5839000       1.213400    
 H   -5.445700       3.182300     -0.5108000    
 H   -6.337900       1.994800      -1.464200    
 H    6.703700       1.505300      -1.266400    
 H    7.075500      0.9235000      0.3581000    
 H   -1.358000      0.1570000     -0.1945000    
 H   -2.182000     -0.9950000      -1.271700    
 H    2.802700      -1.827400      0.5698000    
 H    2.462700      -1.383900      -1.118000    
 H   -7.886600       3.529600     -0.2889000    
 H   -8.092000       1.880000      0.3251000    
 H   -7.191800       3.077300       1.277000    
 H    8.235800       3.061800     -9.8399997E-02
 H    6.688000       3.864400     -0.4149000    
 H    7.065700       3.273000       1.215300    
 H    1.176000      -3.226300      -2.202900    


%chk=000018680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018680

0 1
S -0.142759 -2.598015 -2.223256
S 0.621462 -4.014550 1.159770
P 0.038039 -2.361780 0.093373
O -1.457620 -1.691393 0.613983
O 1.023691 -0.929569 0.122113
C -4.111612 0.935357 -0.191492
C 4.631843 0.297213 -0.124916
C -5.573933 1.108536 0.277808
C 5.265416 1.691251 0.085172
C -3.428171 -0.300003 0.443248
C 3.099735 0.307247 0.092871
C -6.276856 2.328131 -0.360823
C 6.795181 1.704033 -0.136199
C -1.992920 -0.463742 -0.055113
C 2.489530 -1.080434 -0.103871
C -7.739345 2.489689 0.106873
C 7.419291 3.099913 0.078439
H -3.536640 1.851333 0.057649
H -4.092533 0.843676 -1.297578
H 5.103705 -0.426664 0.571402
H 4.861207 -0.058115 -1.150867
H -5.597078 1.209753 1.382767
H -6.147322 0.189157 0.037565
H 4.790156 2.418950 -0.605232
H 5.041854 2.045138 1.112992
H -3.420013 -0.203878 1.545405
H -4.000531 -1.215202 0.200058
H 2.624664 1.013988 -0.614159
H 2.865768 0.660439 1.115118
H -5.705453 3.247402 -0.118186
H -6.249295 2.227281 -1.465144
H 7.017756 1.350933 -1.163813
H 7.269647 0.975611 0.552629
H -1.352334 0.392377 0.223356
H -1.958046 -0.609549 -1.153466
H 2.891272 -1.812212 0.623615
H 2.653936 -1.457657 -1.132459
H -8.221236 3.365666 -0.364901
H -8.338326 1.595457 -0.149417
H -7.792557 2.624776 1.203704
H 8.512279 3.084508 -0.086177
H 6.982819 3.840742 -0.617851
H 7.237649 3.460752 1.108361
H -0.458223 -3.944949 -2.133353


