%chk=000094639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094639

0 1
 S    2.405900      -3.113000      -2.058900    
 S    2.710700      -4.435600       1.166100    
 P    2.000500      -3.009200      2.5500000E-02
 O    2.423400      -1.521400      0.5519000    
 O   0.3799000      -2.915000      0.2050000    
 C    3.219000       2.562500     -0.6076000    
 C    2.693700       3.216800      0.7027000    
 C    3.185600       1.016200     -0.5979000    
 C    3.866200      0.3866000      0.6181000    
 C    2.492800       3.061000      -1.865500    
 C    2.907800       4.735300      0.7115000    
 C    1.226300       2.905200       1.007700    
 C   -4.790000      0.5840000     -0.3898000    
 C   -3.886500     -0.4699000      0.2610000    
 C   -6.109700      0.8858000      0.3452000    
 C   -2.563400     -0.6803000     -0.4772000    
 C    3.786900      -1.134100      0.5778000    
 C   -1.708100      -1.742600      0.2119000    
 C  -0.3705000      -1.928900     -0.4903000    
 C   -6.950300     -0.3907000      0.4414000    
 C   -6.920300       1.987200     -0.3385000    
 H    4.273700       2.854300     -0.7109000    
 H    3.293000       2.837200       1.538400    
 H    3.677000      0.6462000      -1.507400    
 H    2.143300      0.6810000     -0.6579000    
 H    4.913900      0.7020000      0.6711000    
 H    3.367600      0.7140000       1.535800    
 H    2.934300       2.614700      -2.763800    
 H    2.575100       4.146000      -1.975200    
 H    1.431400       2.794700      -1.854000    
 H    2.685800       5.147000       1.702400    
 H    3.947100       4.985300      0.4746000    
 H    2.258000       5.244300     -7.1000000E-03
 H   0.9356000       3.340000       1.970500    
 H    1.049300       1.827600       1.072900    
 H   0.5567000       3.317100      0.2463000    
 H   -5.012000      0.2713000      -1.418600    
 H   -4.221900       1.519900     -0.4728000    
 H   -3.681600     -0.1725000       1.296800    
 H   -4.410700      -1.431100      0.3021000    
 H   -5.874800       1.221600       1.363000    
 H   -2.763500     -0.9818000      -1.512400    
 H   -2.013600      0.2678000     -0.5165000    
 H    4.257400      -1.553400       1.472500    
 H    4.310700      -1.519600     -0.3022000    
 H   -1.529800      -1.465600       1.258500    
 H   -2.241200      -2.701000      0.2416000    
 H   0.1804000     -0.9838000     -0.5133000    
 H  -0.5272000      -2.268400      -1.518800    
 H   -7.120700     -0.8334000     -0.5458000    
 H   -7.928600     -0.1753000      0.8854000    
 H   -6.472500      -1.140600       1.078900    
 H   -7.201300       1.698700      -1.357100    
 H   -7.837500       2.202200      0.2198000    
 H   -6.339000       2.913300     -0.3975000    
 H    1.827200      -4.299500      -2.294600    


%chk=000094639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094639

0 1
S 1.907247 -3.436433 -2.018144
S 2.774939 -4.387782 1.499963
P 1.860670 -3.018132 0.277249
O 2.437359 -1.381876 0.244885
O 0.213030 -2.720328 0.673553
C 3.681694 2.744835 -0.663952
C 3.181189 3.336825 0.697820
C 3.457366 1.211932 -0.788529
C 4.106225 0.363858 0.327197
C 3.067810 3.452894 -1.897689
C 3.533386 4.838547 0.835054
C 1.670821 3.108118 0.954795
C -5.220843 0.388189 -0.362402
C -4.311861 -0.643144 0.344271
C -6.623516 0.567717 0.278377
C -2.881809 -0.679007 -0.241343
C 3.905942 -1.140187 0.133752
C -1.976048 -1.714560 0.467740
C -0.558361 -1.698309 -0.102195
C -7.470350 -0.726219 0.207143
C -7.375472 1.742392 -0.391986
H 4.780747 2.922493 -0.690681
H 3.736706 2.806574 1.500073
H 3.867239 0.881326 -1.766215
H 2.372838 0.993571 -0.823097
H 5.199316 0.554862 0.357925
H 3.702305 0.638629 1.318974
H 3.489079 3.036331 -2.831850
H 3.271848 4.538004 -1.896250
H 1.971303 3.311539 -1.938384
H 3.332506 5.193671 1.863160
H 4.602353 5.022477 0.614720
H 2.932834 5.461716 0.146748
H 1.380145 3.528977 1.935387
H 1.410182 2.033860 0.962272
H 1.051890 3.605493 0.184670
H -5.347379 0.100021 -1.428129
H -4.705317 1.371826 -0.364870
H -4.256661 -0.401457 1.426391
H -4.756974 -1.655433 0.271071
H -6.473924 0.821705 1.350266
H -2.935699 -0.909119 -1.325759
H -2.429181 0.331158 -0.157090
H 4.422331 -1.728801 0.916002
H 4.242995 -1.475076 -0.867207
H -1.929526 -1.495313 1.551196
H -2.400767 -2.730353 0.358449
H -0.072095 -0.714222 0.028635
H -0.541452 -1.980054 -1.173773
H -7.611568 -1.040426 -0.845605
H -8.472169 -0.565840 0.647520
H -6.996194 -1.562754 0.751148
H -7.546927 1.533291 -1.465956
H -8.361706 1.909707 0.079908
H -6.798690 2.683673 -0.319152
H 1.931695 -4.811286 -1.841254


