%chk=000067229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067229

0 1
 S    8.233700       2.155700      0.1626000    
 S   -1.595700      -2.844700     -0.3510000    
 S   -5.345300       2.658000      0.1267000    
 O    8.984700       1.906400      -1.261900    
 O    9.067400       1.630800       1.224600    
 O    7.764600       3.526900      0.1751000    
 O   -2.366200      -2.945100       1.085600    
 O   -2.615900      -2.861100      -1.386300    
 O  -0.5120000      -3.812200     -0.3551000    
 O   -4.569900       2.663800      -1.310600    
 O   -6.394500       3.661300      5.1500000E-02
 O   -4.348200       2.698100       1.182400    
 O   -10.13530      -1.389400      0.1654000    
 O   -10.21840      0.7938000     -4.8999999E-02
 N    2.542500      0.1464000     -0.1694000    
 N    3.276300     -0.9642000     -7.6300003E-02
 N    3.151000       1.334000     -0.1697000    
 N   -9.570800     -0.2707000      9.9500000E-02
 C    5.777200      -1.154800      0.1087000    
 C    4.527500     -0.4762000     -5.1000002E-03
 C    6.921400     -0.3058000      0.1590000    
 C    4.444900      0.9894000     -6.4800002E-02
 C    6.806300       1.115800      9.8700002E-02
 C    5.585200       1.809600     -1.3800000E-02
 C    1.155300      6.6600002E-02 -0.2654000    
 C    5.901400      -2.556900      0.1689000    
 C    8.176300     -0.9220000      0.2710000    
 C  -0.8534000      -1.257000     -0.3577000    
 C   -1.613400     -9.1300003E-02 -0.4545000    
 C   0.5361000      -1.177800     -0.2627000    
 C   0.4052000       1.232700     -0.3617000    
 C  -0.9840000       1.153600     -0.4566000    
 C    7.165600      -3.128300      0.2799000    
 C    8.297200      -2.315000      0.3306000    
 C   -3.067000     -0.1273000     -0.5563000    
 C   -5.391200     -8.4799998E-02  0.3853000    
 C   -3.921500     -6.7800000E-02  0.4901000    
 C   -6.115100       1.086200      0.2205000    
 C   -6.025300      -1.316600      0.4573000    
 C   -7.505500       1.024900      0.1256000    
 C   -8.155700     -0.2073000      0.1965000    
 C   -7.415400      -1.377900      0.3624000    
 H    5.489100       2.885600     -6.3500002E-02
 H    5.025900      -3.199000      0.1294000    
 H    9.118900     -0.3905000      0.2569000    
 H    1.123800      -2.086900     -0.1833000    
 H   0.8548000       2.221900     -0.3667000    
 H   -1.560800       2.072700     -0.5322000    
 H    7.271800      -4.208300      0.3238000    
 H    9.282400      -2.767900      0.4035000    
 H   -3.458300     -0.1830000      -1.569700    
 H   -3.535200     -9.8000001E-03   1.505400    
 H   -5.464600      -2.238500      0.5846000    
 H   -8.081500       1.936200     -6.6000000E-03
 H    8.468700       2.158100      -2.063500    
 H   -7.887900      -2.355200      0.4213000    
 H   -3.256100      -2.527500       1.127700    
 H   -5.146200       2.553700      -2.103200    


%chk=000067229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067229

0 1
S 8.295068 2.347471 0.078953
S -1.484252 -3.316379 -0.024675
S -5.761154 3.099503 0.061270
O 8.813800 2.023267 -1.674077
O 9.504001 1.885860 1.050139
O 7.710525 3.849590 0.203197
O -2.094550 -3.368700 1.734611
O -2.776605 -3.443143 -0.991444
O -0.244872 -4.336771 -0.205618
O -5.153090 3.173246 -1.696187
O -7.002870 4.113985 0.255727
O -4.469843 3.209109 1.030319
O -10.314979 -1.408443 -0.131396
O -10.552755 0.862896 -0.051288
N 2.541606 -0.017667 0.088465
N 3.385315 -1.118185 0.046690
N 3.144389 1.224657 0.112348
N -9.837860 -0.209625 -0.095864
C 5.921356 -1.169493 0.008452
C 4.627032 -0.535937 0.043642
C 7.082654 -0.301098 0.014773
C 4.479473 0.897123 0.085114
C 6.845249 1.132142 0.055869
C 5.616177 1.760651 0.085620
C 1.126966 -0.161396 0.102780
C 6.087365 -2.579901 -0.038358
C 8.379297 -0.897313 -0.020904
C -0.830472 -1.547036 0.084492
C -1.724147 -0.443830 0.131335
C 0.563524 -1.456359 0.071736
C 0.299394 0.986759 0.159952
C -1.094605 0.839157 0.175792
C 7.372684 -3.138041 -0.075759
C 8.516425 -2.292176 -0.066260
C -3.182834 -0.599292 0.170046
C -5.525740 0.225065 -0.134160
C -4.068209 0.384798 -0.178929
C -6.418675 1.331093 -0.072569
C -6.149847 -1.061265 -0.191020
C -7.812583 1.237892 -0.060616
C -8.362167 -0.058324 -0.105852
C -7.544533 -1.208880 -0.173459
H 5.524854 2.850354 0.111939
H 5.195918 -3.215003 -0.045460
H 9.270644 -0.265447 -0.002657
H 1.198364 -2.346081 0.026747
H 0.762866 1.975074 0.203665
H -1.722580 1.730490 0.268655
H 7.497912 -4.224911 -0.111888
H 9.517771 -2.733793 -0.093312
H -3.559700 -1.565235 0.521667
H -3.693861 1.352535 -0.527305
H -5.518249 -1.948613 -0.294961
H -8.456304 2.122000 -0.006857
H 9.613330 2.596574 -1.862739
H -8.015890 -2.193728 -0.225231
H -2.364849 -4.311170 1.939502
H -4.910986 4.123338 -1.900756


