%chk=000178908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178908

0 1
 S    5.654600      -1.600000     -0.1911000    
 O   -3.100700       2.104400      0.6519000    
 O   -3.130900      -3.636300      8.8500001E-02
 O   -4.488800      0.6765000     -0.4228000    
 O   -4.601500      -1.916600      0.1134000    
 N  -0.2535000     -0.8766000     -2.4000000E-02
 N   -1.051700      -1.957200      1.0300000E-02
 C  -0.9274000      0.3121000     -1.5799999E-02
 C   -2.262200     -2.0199999E-02  2.6699999E-02
 C  -0.2891000       1.605500     -4.6799999E-02
 C    1.131500      -1.047300     -6.3199997E-02
 C   -2.277700      -1.427800      4.1200001E-02
 C    1.845800      -1.119300       1.125000    
 C    1.775000      -1.141400      -1.289900    
 C   5.5399999E-02   2.242900       1.145200    
 C  -1.7300000E-02   2.219100      -1.269500    
 C   -3.362800      0.8987000      4.9800001E-02
 C    3.230000      -1.288600       1.085800    
 C    3.159000      -1.310700      -1.328900    
 C    3.886500      -1.384300     -0.1412000    
 C   0.6717000       3.493900       1.114300    
 C   0.5990000       3.470000      -1.300500    
 C   -3.421300      -2.295400      8.2999997E-02
 C   0.9434000       4.107400     -0.1084000    
 C    6.233100     -0.1087000      0.6669000    
 H    1.345500      -1.047300       2.087200    
 H    1.219200      -1.085000      -2.222300    
 H  -0.1494000       1.778000       2.106700    
 H  -0.2796000       1.735600      -2.207600    
 H    3.775100      -1.350100       2.024300    
 H    3.653300      -1.382700      -2.294700    
 H   0.9400000       3.990100       2.042300    
 H   0.8108000       3.947800      -2.252500    
 H    1.423300       5.081400     -0.1325000    
 H   -3.885200       2.693100      0.6385000    
 H   -3.945500      -4.182300      0.1177000    
 H    7.324800     -7.1400002E-02  0.6229000    
 H    5.929100     -0.1230000       1.716700    
 H    5.833000      0.7871000      0.1843000    


%chk=000178908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178908

0 1
S 5.778835 -1.739357 -0.564451
O -3.473562 1.780887 1.262168
O -3.234600 -3.497825 -0.816064
O -4.530153 0.716434 -0.509872
O -4.494639 -2.164652 0.614745
N -0.220387 -0.755970 -0.123757
N -1.019926 -1.888037 -0.254590
C -0.964235 0.407948 0.128251
C -2.313260 -0.013241 0.171192
C -0.366517 1.763992 0.132708
C 1.205985 -0.936549 -0.202466
C -2.291758 -1.426350 -0.084676
C 2.084855 -0.202525 0.624146
C 1.716477 -1.910084 -1.095242
C -0.583236 2.659221 1.212529
C 0.430032 2.185187 -0.968148
C -3.533890 0.818433 0.238826
C 3.475941 -0.417393 0.536628
C 3.102797 -2.126820 -1.174149
C 3.997186 -1.376749 -0.364216
C -0.004050 3.947012 1.194985
C 1.001357 3.474088 -0.984136
C -3.445088 -2.353858 -0.041749
C 0.789749 4.358865 0.099812
C 6.574046 -0.581642 0.679347
H 1.695981 0.527626 1.338844
H 1.022503 -2.495989 -1.703580
H -1.208529 2.343706 2.051664
H 0.590541 1.506830 -1.813237
H 4.135879 0.163924 1.186784
H 3.491471 -2.881410 -1.866492
H -0.175943 4.628178 2.035488
H 1.605944 3.788814 -1.841485
H 1.235164 5.359818 0.087617
H -4.311663 2.319005 1.233186
H -4.025320 -4.094782 -0.714236
H 7.656050 -0.765013 0.594090
H 6.241051 -0.819256 1.701629
H 6.359412 0.468933 0.428808


