%chk=000176392.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176392

0 1
 S   1.8100001E-02   1.561000     -0.6320000    
 S   -3.567300      -2.131500     -3.3399999E-02
 F    2.250700       2.241300       1.357800    
 F    2.695000      0.2073000       1.959000    
 F   0.8193000     -0.7615000      0.1904000    
 F   0.1558000      0.5876000       1.756300    
 F    3.020600       1.750500      -1.181200    
 F    4.501400       1.359200      0.3532000    
 F    2.565800     -0.9226000      -1.499300    
 F    4.618000     -0.2637000      -1.761400    
 F    5.275300      -1.168400      0.7219000    
 F    4.404800      -2.700200     -0.5526000    
 F    3.224800      -1.827400       1.062800    
 O   0.6665000       1.362900      -1.913800    
 O  -0.1406000       2.891900     -7.9200000E-02
 O   -3.194600      -2.387300       1.536600    
 O   -4.495500      -3.179400     -0.4281000    
 O   -2.329500      -1.918900     -0.7650000    
 N   -1.505100      0.7949000     -0.7094000    
 C    2.276200      0.9562000      0.8978000    
 C   0.8475000      0.5385000      0.5807000    
 C    3.341400      0.8787000     -0.1861000    
 C    3.649200     -0.4681000     -0.8223000    
 C   -2.321800      0.6410000      0.5055000    
 C   -3.792900      0.5951000      0.2006000    
 C    4.135500      -1.554500      0.1048000    
 C   -4.434400     -0.6115000     -5.4099999E-02
 C   -4.499800       1.792300      0.1798000    
 C   -5.801100     -0.6214000     -0.3334000    
 C   -5.866500       1.782300     -9.9699996E-02
 C   -6.517000      0.5755000     -0.3563000    
 H   -1.575500     -2.3000001E-03  -1.355400    
 H   -2.143200       1.500700       1.164800    
 H   -1.990400     -0.2235000       1.083600    
 H   -4.005500       2.740200      0.3748000    
 H   -6.338800      -1.542900     -0.5352000    
 H   -6.424000       2.714300     -0.1182000    
 H   -7.581200      0.5682000     -0.5735000    
 H   -3.965200      -2.470100       2.146400    


%chk=000176392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176392

0 1
S -0.395972 0.474496 -0.265048
S -4.705414 -2.242278 0.096544
F 2.053486 2.193925 1.423585
F 3.464159 0.452233 1.875932
F 1.619378 -1.320216 0.617953
F 0.732697 -0.007041 2.258471
F 2.311306 1.787209 -1.301913
F 4.223239 2.209291 -0.121099
F 3.019671 -0.827566 -1.707933
F 4.618642 0.693674 -2.294603
F 5.983839 0.039157 0.231607
F 5.799915 -1.524586 -1.399677
F 4.506144 -1.676076 0.450001
O -0.045345 -0.064683 -1.747487
O -0.773673 2.011438 0.095326
O -4.919214 -2.300555 1.942702
O -5.938985 -2.983890 -0.629606
O -3.193704 -2.754762 -0.228349
N -1.581103 -0.592623 0.505208
C 2.495326 0.940540 0.944703
C 1.267317 -0.011886 0.962843
C 3.251688 1.221986 -0.407744
C 3.983045 0.065669 -1.197598
C -2.678117 0.006878 1.291443
C -3.872890 0.484571 0.461926
C 5.084438 -0.780780 -0.456912
C -4.857361 -0.370333 -0.083504
C -4.053761 1.867840 0.201724
C -5.971774 0.050607 -0.825350
C -5.158031 2.337465 -0.544523
C -6.119196 1.436684 -1.055706
H -1.796267 -1.464379 -0.019879
H -2.273381 0.857649 1.862673
H -2.990492 -0.768700 2.014748
H -3.304050 2.569407 0.581551
H -6.691888 -0.678382 -1.210605
H -5.265386 3.411006 -0.729803
H -6.974980 1.801691 -1.631572
H -4.877307 -3.260280 2.227172


