%chk=000006752.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006752

0 1
 S   -2.811200     -0.1255000     -7.6200001E-02
 O    3.661800     -0.2086000      3.9400000E-02
 O   -3.046700     -0.7790000       1.400600    
 O   -3.692000       1.024000     -0.1845000    
 O   -2.845000      -1.191900      -1.059900    
 N    2.658600       2.230900      2.7600000E-02
 C  -4.1600000E-02 -0.3769000     -2.7000001E-02
 C    1.256300      0.1868000     -2.3000001E-03
 C   -1.159200      0.4734000     -4.5000002E-02
 C    1.398400       1.584000      3.3000000E-03
 C  -0.9996000       1.859500     -3.8500000E-02
 C    2.374000     -0.6633000      1.5400000E-02
 C  -0.1834000      -1.774100     -3.3000000E-02
 C   0.2768000       2.413800     -1.4700000E-02
 C    2.214600      -2.049300      9.4999997E-03
 C   0.9382000      -2.603600     -1.4800000E-02
 H   -1.843700       2.542100     -4.8599999E-02
 H   -1.138200      -2.283800     -1.6000000E-03
 H   0.3822000       3.496100     -9.3999999E-03
 H    3.074900      -2.713500      2.5900001E-02
 H   0.8153000      -3.682900     -8.2999999E-03
 H    2.705400       3.241500      3.0099999E-02
 H    3.515500       1.696800      4.0800001E-02
 H    4.278000     -0.9606000      4.8200000E-02
 H   -2.968600     -0.1528000       2.158300    


%chk=000006752-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006752

0 1
S -2.862356 -0.013494 -0.026761
O 3.755287 -0.173700 0.006268
O -2.923429 -0.578569 1.757804
O -3.833225 1.271770 -0.203516
O -3.143832 -1.334209 -0.928865
N 2.751411 2.246572 -0.027299
C 0.000406 -0.361353 -0.018151
C 1.340008 0.213465 -0.016066
C -1.100966 0.558302 -0.037821
C 1.502361 1.663811 -0.027899
C -0.942755 1.946362 -0.036955
C 2.442904 -0.709363 0.004614
C -0.167187 -1.784532 -0.003916
C 0.351503 2.493281 -0.042439
C 2.259599 -2.095661 0.022418
C 0.942768 -2.628511 0.017811
H -1.826083 2.592793 -0.042883
H -1.174603 -2.205457 -0.027316
H 0.478800 3.580984 -0.051902
H 3.126976 -2.767834 0.038053
H 0.803547 -3.714108 0.028433
H 2.834550 3.260009 -0.034035
H 3.583135 1.652954 -0.016604
H 4.428781 -0.895966 0.020798
H -3.806801 -1.034444 1.881529


