%chk=000005373.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005373

0 1
 S  -4.0800001E-02  -2.807500      -1.622400    
 O   -1.313600     -0.6469000       1.974300    
 O    3.305500     -0.1668000      0.1655000    
 O    1.838500      0.2554000      -1.568400    
 O   -4.398200     -0.4077000       1.128300    
 O    4.392400       1.394000      -1.272600    
 O    5.600400       3.367700      -1.246900    
 N  -0.1011000     -0.7092000     -4.8599999E-02
 N   -3.088800     -0.2301000     -0.7770000    
 N   -4.566500       2.466700     -0.2614000    
 C  -0.8027000      -1.184800      -1.241800    
 C    1.220300      -1.225000      0.2270000    
 C    1.225100      -2.690600     -0.2628000    
 C   -2.082500      -1.223700     -0.3904000    
 C   -1.183800     -0.7740000      0.7780000    
 C    2.581100      -3.160800     -0.7989000    
 C   0.7783000      -3.640100      0.8618000    
 C    2.130500     -0.2936000     -0.5147000    
 C   -4.180600      9.9699996E-02  2.9200001E-02
 C   -5.094800       1.143000     -0.6039000    
 C    4.458600      9.0800002E-02 -0.6420000    
 C    5.664800      0.2075000      0.2046000    
 C   -6.526200      0.9565000     -0.1453000    
 C    6.219100       1.462800      5.4299999E-02
 C    5.409700       2.224600     -0.8828000    
 C    6.252400     -0.7200000       1.046400    
 C   -7.365700      0.1316000     -0.8726000    
 C   -6.961400       1.615700      0.9905000    
 C    7.362600       1.860300      0.7223000    
 C    7.410300     -0.3490000       1.737300    
 C    7.961500      0.9336000       1.576200    
 C   -8.683900     -4.0199999E-02 -0.4498000    
 C   -8.279600       1.444100       1.413200    
 C   -9.141000      0.6159000      0.6933000    
 H  -0.7827000     -0.4630000      -2.063900    
 H    1.407100      -1.147100       1.304600    
 H   -2.526700      -2.213600     -0.2385000    
 H    2.552700      -4.217700      -1.090000    
 H    2.901200      -2.591500      -1.678300    
 H    3.357900      -3.058100     -3.2499999E-02
 H    1.484700      -3.600400       1.699400    
 H  -0.2095000      -3.384500       1.259600    
 H   0.7398000      -4.681500      0.5206000    
 H   -3.002700      0.2482000      -1.670600    
 H   -5.059500       1.043200      -1.696300    
 H    4.580800     -0.6763000      -1.415300    
 H   -3.618400       2.558400     -0.6256000    
 H   -5.115500       3.184300     -0.7345000    
 H    5.830100      -1.711200       1.171600    
 H   -7.017900     -0.3851000      -1.762400    
 H   -6.311100       2.251900       1.583000    
 H    7.784600       2.850400      0.5939000    
 H    7.890200      -1.059200       2.405300    
 H    8.861800       1.203400       2.121200    
 H   -9.354300     -0.6855000      -1.010000    
 H   -8.634600       1.951400       2.305600    
 H   -10.16690      0.4811000       1.023200    


%chk=000005373-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005373

0 1
S -0.542982 -2.532104 1.695507
O -1.009649 2.007177 2.336594
O 2.909185 -0.118904 -0.421759
O 0.918619 -0.955453 -1.346359
O -4.947304 -0.768769 2.801579
O 3.686530 1.140749 -2.298374
O 5.418262 2.656238 -2.773613
N -0.405607 0.068609 0.987020
N -3.645588 0.271460 1.177389
N -7.248647 -0.282366 1.443551
C -1.396867 -1.028133 0.891621
C 1.009826 -0.269910 1.036384
C 1.133237 -1.567688 1.958218
C -2.388997 -0.147120 1.750306
C -1.216729 0.902989 1.806839
C 2.289278 -2.508208 1.568782
C 1.234736 -1.126726 3.434143
C 1.547524 -0.492641 -0.377821
C -4.858398 -0.048455 1.763381
C -6.121941 0.587672 1.107373
C 3.586016 -0.213302 -1.735938
C 5.012743 -0.673443 -1.531838
C -5.969872 0.799842 -0.403949
C 5.880040 0.375622 -1.899321
C 5.080068 1.539746 -2.365317
C 5.515221 -1.894407 -1.054266
C -5.531849 2.047453 -0.916414
C -6.241302 -0.260913 -1.304148
C 7.278850 0.248214 -1.806517
C 6.922379 -2.036573 -0.960712
C 7.794609 -0.979501 -1.331552
C -5.349850 2.229238 -2.308082
C -6.059938 -0.080577 -2.692158
C -5.609393 1.163038 -3.199020
H -1.714471 -1.300390 -0.124402
H 1.575753 0.553091 1.504778
H -2.594077 -0.597147 2.737180
H 2.326192 -3.366771 2.261776
H 2.161808 -2.905048 0.546836
H 3.255303 -1.973427 1.633110
H 2.221622 -0.663166 3.629446
H 0.450126 -0.396468 3.697983
H 1.119997 -1.996463 4.102824
H -3.655437 0.814936 0.309243
H -6.183919 1.603068 1.578987
H 2.956977 -0.817685 -2.412039
H -7.114224 -0.786465 2.326431
H -8.171328 0.137892 1.322540
H 4.849866 -2.713086 -0.761125
H -5.350561 2.885196 -0.229647
H -6.612744 -1.204427 -0.890365
H 7.933615 1.075403 -2.097831
H 7.345815 -2.978501 -0.595884
H 8.877230 -1.120655 -1.249004
H -5.015416 3.198950 -2.693207
H -6.271536 -0.905637 -3.381933
H -5.471803 1.301447 -4.277225


