%chk=000003679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003679

-1 1
 S  -0.4299000     -5.0000002E-04  -2.571400    
 S   -4.779200      0.8689000      0.1792000    
 O   0.6550000      -2.711000       1.048600    
 O    3.309600       1.018600      -1.667900    
 O    4.799800       2.471600      0.1399000    
 O   -2.711800      -3.275400      0.5193000    
 O   -2.789000      -1.573100       2.045600    
 O    3.141900       3.169300       1.597500    
 N  -0.5524000      -1.084300     -0.1538000    
 N    2.571500     -0.3147000      8.3499998E-02
 N   -7.445600       1.425400      0.6652000    
 N   -7.165600     -0.2245000     -0.7140000    
 N   -8.682300       1.024500      0.3394000    
 N   -8.504800      1.5600000E-02 -0.5047000    
 C   0.1789000     -5.7999998E-02 -0.8710000    
 C    1.438400     -0.9171000     -0.6175000    
 C   0.5161000      -1.771400      0.3011000    
 C   -1.906300      -1.156300     -8.9000002E-02
 C   -2.685100     -0.4376000     -0.9300000    
 C   -2.132600      0.4215000      -2.064800    
 C   -4.195900     -0.4356000     -0.9156000    
 C    3.422700      0.6159000     -0.5120000    
 C   -2.534200      -2.099500      0.9311000    
 C    4.512200       1.111300      0.4287000    
 C    5.780900      0.3037000      0.2871000    
 C   -6.528500      0.6593000      1.9099999E-02
 C    5.976600     -0.8313000       1.074000    
 C    6.756600      0.6925000     -0.6310000    
 C    7.147900      -1.577300      0.9432000    
 C    7.927900     -5.3599998E-02 -0.7617000    
 C    4.036500       3.389900      0.7964000    
 C    8.123500      -1.188500      2.5400000E-02
 C   -7.252900       2.521700       1.580300    
 H   0.1733000      0.9060000     -0.3475000    
 H    1.790300      -1.502800      -1.477600    
 H   -2.744000      0.3029000      -2.965200    
 H   -2.164400       1.477500      -1.775800    
 H    2.762200     -0.5827000       1.046200    
 H   -4.583000      -1.398600     -0.5658000    
 H   -4.600600     -0.2942000      -1.923800    
 H    4.176500       1.021700       1.470700    
 H    5.224300      -1.146200       1.792300    
 H    6.624400       1.564200      -1.265900    
 H    7.300000      -2.461300       1.555600    
 H    8.686400      0.2469000      -1.478700    
 H    4.356600       4.396300      0.4857000    
 H    9.035000      -1.770000     -7.7100001E-02
 H   -6.690900       2.158900       2.444300    
 H   -8.225100       2.900600       1.906400    
 H   -6.703900       3.313100       1.064200    


%chk=000003679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003679

-1 1
S -0.984188 0.186215 -2.184140
S -5.513268 0.127591 0.809843
O 0.755395 -3.177470 0.664600
O 3.789190 -0.353246 -1.653986
O 4.403349 2.042852 0.501803
O -3.513303 -3.393415 1.275309
O -1.818005 -2.381201 2.544659
O 2.784156 1.877127 2.191143
N -0.780222 -1.326001 0.153377
N 2.319702 -0.292239 0.165469
N -7.068440 2.220466 -0.159272
N -6.016925 1.146847 -1.806336
N -7.446754 2.860937 -1.365870
N -6.800737 2.192125 -2.338935
C -0.173146 -0.149402 -0.510725
C 1.196275 -0.900274 -0.520886
C 0.429090 -2.061913 0.231924
C -2.152846 -1.590726 0.327656
C -3.064133 -0.870184 -0.431570
C -2.720784 0.262391 -1.388569
C -4.512343 -1.186949 -0.309449
C 3.541028 -0.083388 -0.443010
C -2.528297 -2.578958 1.484304
C 4.603443 0.526511 0.519655
C 6.036952 0.265545 0.139442
C -6.201938 1.186322 -0.448723
C 6.891765 -0.386498 1.061654
C 6.544942 0.658499 -1.125251
C 8.240270 -0.647377 0.729394
C 7.893787 0.405805 -1.452497
C 3.484619 2.548345 1.401010
C 8.744350 -0.248238 -0.529193
C -7.579805 2.669740 1.131963
H -0.219423 0.767500 0.100150
H 1.523835 -1.200645 -1.530164
H -3.428761 0.284427 -2.234129
H -2.787957 1.244988 -0.883762
H 2.199618 0.004672 1.141660
H -4.665062 -2.136743 0.236836
H -5.059365 -1.134257 -1.263480
H 4.398312 0.193003 1.553250
H 6.500724 -0.696486 2.038832
H 5.878784 1.142010 -1.844161
H 8.891135 -1.157984 1.447862
H 8.280744 0.709415 -2.431703
H 3.470845 3.650138 1.313221
H 9.790117 -0.447839 -0.790710
H -8.078900 1.836653 1.656932
H -8.301965 3.478197 0.945306
H -6.758860 3.045413 1.767466


