%chk=000002623.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002623

1 1
 S   -1.312200      -2.141900      -1.940600    
 S    3.880800       3.439200     -7.9700001E-02
 O   9.0899996E-02  -1.970300       2.488300    
 O   -2.321100      7.5999998E-02   2.748500    
 O   -3.785400      -1.672900       2.582800    
 O    2.687900      -1.573800      -2.189700    
 O    6.403000     -0.2416000     -0.6105000    
 N   -4.914700       1.015700     -0.2970000    
 N   -1.121500      -1.314500      0.5749000    
 N    2.063900      -1.265700      5.2099999E-02
 N    5.315200      -1.062700     -0.9384000    
 N    4.771300       1.235800      0.9373000    
 N    5.122600       3.166700       2.255900    
 C   -6.322000       1.398500      0.2053000    
 C   -4.840800       1.512200      -1.755600    
 C   -4.719400     -0.4917000     -0.2413000    
 C   -7.089700       1.768000      -1.048500    
 C   -6.037200       2.430200      -1.910100    
 C   -3.848700       1.690700      0.5521000    
 C   -3.265600     -0.8894000     -0.3310000    
 C  -0.4158000      -1.196500     -0.6881000    
 C   0.7567000      -1.920200      9.6000005E-03
 C   -2.439200      -1.027300      0.7332000    
 C   -2.827900      -1.139500      -1.772500    
 C  -7.4299999E-02  -1.743800       1.312400    
 C   -2.941400     -0.9371000       2.112200    
 C    2.886200      -1.165500      -1.056800    
 C    4.181500     -0.4523000     -0.7668000    
 C    4.197800      0.9316000     -0.2818000    
 C    3.662700       1.994900     -0.9784000    
 C    4.662100       2.528900       1.147300    
 C    7.594600     -0.9820000     -0.8254000    
 H   -6.771100      0.5667000      0.7557000    
 H   -6.223000       2.264300      0.8698000    
 H   -3.884200       2.013800      -1.930800    
 H   -4.941000      0.6534000      -2.427200    
 H   -5.146100     -0.8276000      0.7090000    
 H   -5.338100     -0.9542000      -1.019800    
 H   -7.477100      0.8671000      -1.538900    
 H   -7.933700       2.429900     -0.8354000    
 H   -5.802700       3.431300      -1.529300    
 H   -6.350500       2.527900      -2.953300    
 H   -4.023500       2.771500      0.4859000    
 H   -2.847900       1.506400      0.1576000    
 H   -3.996100       1.395500       1.590200    
 H  -0.2101000     -0.1534000     -0.9583000    
 H   0.8715000      -2.983000     -0.2436000    
 H   -3.609000      -1.680400      -2.316400    
 H   -2.658700     -0.1852000      -2.280200    
 H    2.399100     -0.8718000      0.9283000    
 H   -2.628300      0.1732000       3.675100    
 H    3.169600       1.997700      -1.940400    
 H    7.613000      -1.868300     -0.1835000    
 H    7.676000      -1.275700      -1.876500    
 H    8.447300     -0.3470000     -0.5714000    
 H    5.017500       4.168400       2.378800    
 H    5.590100       2.666500       3.004700    


%chk=000002623-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002623

1 1
S -1.146613 -1.669498 -1.906764
S 4.845837 3.277939 0.808862
O 0.229721 -1.116055 2.558930
O -1.926609 0.767588 2.804059
O -3.876559 -0.483194 2.670848
O 3.087351 -2.377165 -1.166960
O 6.877570 -0.573263 -1.052744
N -5.567056 0.785699 -0.426385
N -0.982967 -0.359948 0.547525
N 2.271325 -0.533825 -0.012642
N 5.634097 -1.260578 -1.135475
N 5.548600 0.737915 1.369498
N 6.303931 2.304114 3.011597
C -7.079940 0.511583 -0.148918
C -5.525433 1.204296 -1.912699
C -4.739807 -0.517456 -0.121884
C -7.875352 1.195324 -1.294000
C -6.827777 1.989674 -2.125001
C -5.080983 1.929374 0.454387
C -3.247504 -0.428904 -0.344268
C -0.240771 -0.501799 -0.733982
C 0.965989 -1.122063 0.065159
C -2.364758 -0.292087 0.722484
C -2.744230 -0.639324 -1.765445
C 0.116472 -0.901082 1.351396
C -2.819171 -0.056831 2.145994
C 3.313294 -1.258536 -0.625277
C 4.654882 -0.581768 -0.554885
C 4.830629 0.715152 0.161790
C 4.357787 1.936453 -0.297413
C 5.664987 1.968163 1.847255
C 7.926492 -1.409557 -1.685792
H -7.219378 -0.580641 -0.131833
H -7.309887 0.908322 0.851387
H -4.601452 1.769787 -2.106004
H -5.518783 0.275983 -2.508626
H -4.976660 -0.770688 0.923074
H -5.177078 -1.282837 -0.787875
H -8.360770 0.430598 -1.922944
H -8.668342 1.850517 -0.901076
H -6.731762 3.031157 -1.772964
H -7.092915 2.031475 -3.193467
H -5.692975 2.821873 0.258419
H -4.025549 2.137557 0.224269
H -5.179941 1.631489 1.508862
H -0.043186 0.457623 -1.236571
H 1.079279 -2.201944 -0.166749
H -3.484433 -1.192768 -2.367523
H -2.535751 0.316524 -2.282102
H 2.484083 0.364032 0.432163
H -2.138036 0.823382 3.775888
H 3.856842 2.163951 -1.235844
H 8.052728 -2.347273 -1.120671
H 7.658426 -1.626233 -2.732844
H 8.836025 -0.792647 -1.630723
H 6.400079 3.267444 3.318945
H 6.749301 1.559673 3.545357


