%chk=000071324.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071324

0 1
 S    3.114000      -2.074300     -0.9916000    
 S    6.611500     -7.0000000E-02  -1.075000    
 O  -5.8100000E-02   1.393100      -1.349200    
 O   -1.590800      -1.684000       2.371700    
 O   -1.382100      -3.191500      0.6917000    
 O    1.234300       2.780900       1.590600    
 O    2.004700       4.688900      0.6347000    
 N    2.013800       1.196800     -0.3428000    
 N  -0.7907000      -1.110600      -1.012700    
 C   0.6157000     -0.8285000     -0.6936000    
 C    3.872000     -0.4352000     -0.6490000    
 C    3.038800      0.3974000      0.3370000    
 C    1.506100      -1.576300      -1.689600    
 C   -1.637000     -0.8349000      0.1346000    
 C   0.8073000      0.6855000     -0.8244000    
 C   -3.082300     -0.6297000     -0.3405000    
 C    2.326200       2.608800     -0.5334000    
 C    5.293800     -0.6435000     -0.1439000    
 C   -4.081700     -0.3071000      0.7814000    
 C   -1.530200      -2.033100       1.061400    
 C   -5.487100     -2.9899999E-02  0.3069000    
 C    5.709600      -1.259800       1.015900    
 C    1.849300       3.474300      0.6045000    
 C    7.128900      -1.260900       1.141800    
 C    7.743500     -0.6457000      7.3500000E-02
 C   -5.870800       1.272400     -1.4000000E-02
 C   -6.402500      -1.075800      0.1884000    
 C   -7.169700       1.528800     -0.4528000    
 C   -7.701400     -0.8192000     -0.2506000    
 C   -8.085000      0.4831000     -0.5711000    
 H   0.8268000      -1.156500      0.3290000    
 H    3.917800      8.5699998E-02  -1.614100    
 H    3.681500       1.094000      0.8914000    
 H    2.565700     -0.2275000       1.102800    
 H    1.678900     -0.9970000      -2.603800    
 H    1.029300      -2.515700      -1.993400    
 H   -1.316100      6.6600002E-02  0.6711000    
 H   -1.075900     -0.5689000      -1.827900    
 H   -3.431700      -1.527900     -0.8690000    
 H   -3.107700      0.1876000      -1.074400    
 H    3.407600       2.728300     -0.6543000    
 H    1.828900       2.963400      -1.442600    
 H   -3.721600      0.5594000       1.351600    
 H   -4.117500      -1.134600       1.501000    
 H    5.034200      -1.688900       1.745200    
 H    7.671300      -1.690500       1.973900    
 H    8.803300     -0.5066000     -8.7300003E-02
 H   -5.165800       2.095000      7.1999997E-02
 H   -6.114800      -2.094800      0.4331000    
 H   -1.510400      -2.463300       2.961900    
 H   -7.468300       2.542700     -0.7030000    
 H   -8.414100      -1.633600     -0.3435000    
 H   -9.096300      0.6826000     -0.9132000    
 H   0.9342000       3.365600       2.318800    


%chk=000071324-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071324

0 1
S 3.224445 -2.033785 -1.118559
S 6.798640 -0.002398 -1.022934
O -0.137505 1.376794 -1.391089
O -0.531356 -2.308257 1.852971
O -2.570005 -3.157264 1.145086
O 1.490208 2.822188 1.765135
O 2.395591 4.717905 0.769227
N 1.958522 1.238097 -0.401442
N -0.827587 -1.234230 -0.926452
C 0.584661 -0.869734 -0.708668
C 3.955648 -0.303617 -0.708385
C 3.043218 0.493305 0.270154
C 1.485043 -1.608838 -1.735361
C -1.743313 -0.981320 0.227326
C 0.769402 0.671154 -0.841475
C -3.168906 -0.680336 -0.273937
C 2.136786 2.682549 -0.583602
C 5.320504 -0.547639 -0.130910
C -4.148406 -0.290859 0.866792
C -1.715610 -2.249683 1.092399
C -5.540017 0.020000 0.334047
C 5.672206 -1.155059 1.068994
C 2.040566 3.523764 0.688266
C 7.093787 -1.195508 1.310538
C 7.842570 -0.621522 0.295808
C -5.922407 1.349494 0.020450
C -6.472009 -1.024958 0.101283
C -7.201574 1.630545 -0.511723
C -7.751865 -0.749115 -0.429869
C -8.121389 0.580965 -0.739364
H 0.863531 -1.211288 0.303867
H 4.028660 0.250908 -1.661465
H 3.667992 1.231543 0.802712
H 2.632745 -0.187865 1.036337
H 1.558804 -1.065286 -2.693368
H 1.036481 -2.599297 -1.919505
H -1.393246 -0.128229 0.852039
H -1.194043 -0.752358 -1.761419
H -3.561596 -1.564798 -0.808554
H -3.107342 0.156041 -0.996960
H 3.109069 2.914127 -1.055507
H 1.336161 3.029009 -1.265522
H -3.742146 0.589604 1.402628
H -4.202263 -1.126733 1.588811
H 4.933041 -1.580098 1.752824
H 7.543074 -1.638515 2.202416
H 8.922359 -0.514072 0.211633
H -5.214284 2.169156 0.196996
H -6.191231 -2.057768 0.343499
H -0.507350 -3.168687 2.354587
H -7.481113 2.664416 -0.745242
H -8.460799 -1.567812 -0.599084
H -9.114587 0.796722 -1.149270
H 1.417635 3.433742 2.548042


