%chk=000019703.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019703

0 1
 S   -6.288200      0.3069000     -7.4000001E-02
 O    2.201600      0.5231000     -6.6999998E-03
 O   -6.679500       1.586300     -0.6492000    
 O   -6.808400     -0.9299000     -0.6402000    
 O    4.996100      -2.446800      2.4300000E-02
 O   6.1799999E-02  -2.306100     -1.2200000E-02
 N  -0.3647000      9.8999999E-03 -2.3399999E-02
 N   -6.627700      0.3286000       1.600500    
 C    4.543800     -0.1252000      1.3000000E-02
 C   -4.544600      0.2198000     -5.8899999E-02
 C   -1.779200      8.1000000E-02 -3.5200000E-02
 C    3.537100      0.8411000      2.0999999E-03
 C    1.858300     -0.8124000     -4.0000002E-03
 C   -3.908400      -1.021700     -4.9500000E-02
 C   -3.787500       1.391400     -5.6499999E-02
 C   -2.515400      -1.091500     -3.7500001E-02
 C   -2.394400       1.321500     -4.4700000E-02
 C    4.165400      -1.548800      1.5799999E-02
 C    2.717200      -1.839100      6.3999998E-03
 C   0.4292000      -1.130400     -1.3100000E-02
 C    5.887600      0.2556000      2.0800000E-02
 C    3.870400       2.195700     -1.3000000E-03
 C    6.217600       1.611500      1.7300000E-02
 C    5.211800       2.579300      6.3000000E-03
 H   -4.479400      -1.946100     -4.4700000E-02
 H   -4.261700       2.368800     -5.7200000E-02
 H   -2.096000      -2.086600     -2.8899999E-02
 H   -1.813800       2.239700     -4.1499998E-02
 H   0.1087000      0.9114000     -2.2700001E-02
 H    2.425300      -2.882700      8.3999997E-03
 H    6.684300     -0.4828000      2.9300001E-02
 H    3.093900       2.955600     -1.0100000E-02
 H    7.260700       1.915100      2.3100000E-02
 H    5.474100       3.633300      3.5999999E-03
 H   -6.968000       1.208800       2.006600    
 H   -7.054000     -0.5109000       2.011400    


%chk=000019703-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019703

0 1
S -6.382494 0.431542 -0.049850
O 2.238923 0.426997 -0.003335
O -6.706405 1.929538 -0.604933
O -7.013272 -0.926288 -0.690683
O 5.259279 -2.474132 -0.001775
O 0.059173 -2.446980 -0.007992
N -0.333504 -0.115604 -0.004412
N -6.847239 0.438343 1.734397
C 4.645276 -0.125319 -0.004388
C -4.518474 0.236090 -0.016774
C -1.748271 -0.047714 -0.008782
C 3.596498 0.830836 -0.004646
C 1.947174 -0.946610 -0.003596
C -3.976028 -1.057751 -0.035337
C -3.732600 1.400160 -0.006208
C -2.574950 -1.206338 -0.030814
C -2.335099 1.249584 -0.003338
C 4.347016 -1.587105 -0.002906
C 2.913892 -1.917263 -0.003488
C 0.471813 -1.250442 -0.004515
C 5.982505 0.351428 -0.005903
C 3.841252 2.219128 -0.006388
C 6.249853 1.730643 -0.007646
C 5.176971 2.663862 -0.007937
H -4.632401 -1.932695 -0.077086
H -4.203482 2.387705 -0.024966
H -2.115578 -2.195751 -0.045618
H -1.696284 2.140834 0.000588
H 0.173316 0.776049 -0.001677
H 2.599461 -2.963833 -0.003896
H 6.783278 -0.395458 -0.005822
H 3.002216 2.920904 -0.007063
H 7.283370 2.090677 -0.009024
H 5.386545 3.738545 -0.009650
H -7.321512 1.335485 1.932150
H -7.446216 -0.385666 1.910712


