%chk=000006668.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006668

0 1
 S    2.476300      -2.261600     -0.1732000    
 S   -2.434400       2.254900      7.6099999E-02
 O    1.656000      -2.559800       1.207200    
 O   -1.588800       2.461600      -1.305800    
 O    1.555400      -2.485200      -1.275600    
 O    3.747300      -2.962100     -0.1081000    
 O   -3.674800       2.999500     -6.5300003E-02
 O   -1.542000       2.496300       1.196600    
 N    5.844100       1.581700      0.3048000    
 N   -5.876700      -1.538300     -0.2483000    
 C    1.848400      0.4199000     -0.2650000    
 C   -1.881100     -0.4340000      0.3182000    
 C    2.842300     -0.5483000     -0.1222000    
 C   -2.836500      0.5492000      0.1110000    
 C   0.4496000      6.2300000E-02 -0.4647000    
 C  -0.4624000     -9.1399997E-02  0.5219000    
 C    4.169400     -0.1625000      6.7299999E-02
 C   -4.168700      0.1814000     -7.7699997E-02
 C    2.181300       1.773700     -0.2185000    
 C   -2.226700      -1.777300      0.3410000    
 C    4.502300       1.191300      0.1138000    
 C   -4.529800      -1.165800     -5.7000000E-02
 C    3.508200       2.159300     -2.9100001E-02
 C   -3.558900      -2.145100      0.1524000    
 H   0.1471000     -5.9099998E-02  -1.502500    
 H  -0.1655000      3.1099999E-02   1.561300    
 H    4.961900     -0.8966000      0.1845000    
 H   -4.942000      0.9263000     -0.2452000    
 H    1.419800       2.542300     -0.3287000    
 H   -1.483700      -2.553600      0.5011000    
 H    3.755000       3.217300      5.2000000E-03
 H   -3.827800      -3.198200      0.1701000    
 H    6.085400       2.563200      0.3393000    
 H    6.565700      0.8810000      0.4092000    
 H   -6.138600      -2.515000     -0.2326000    
 H   -6.581800     -0.8294000     -0.3995000    
 H   0.6941000      -2.353600       1.190300    
 H   -2.073300       2.241100      -2.135700    


%chk=000006668-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006668

0 1
S 2.920581 -2.587485 -0.086964
S -3.003576 2.587521 0.058973
O 2.388880 -2.831678 1.682217
O -2.473951 2.829569 -1.711191
O 1.717332 -3.133818 -1.026774
O 4.398490 -3.219653 -0.281981
O -4.481176 3.220076 0.254854
O -1.799276 3.135148 0.996917
N 5.934237 1.620511 0.157582
N -6.017765 -1.620222 -0.181532
C 1.894515 0.123898 0.035886
C -1.977786 -0.124215 -0.060578
C 3.050926 -0.702981 0.006197
C -3.134050 0.702887 -0.031860
C 0.524759 -0.388321 -0.007780
C -0.607944 0.387944 -0.017058
C 4.379914 -0.263899 0.047012
C -4.463128 0.264015 -0.072548
C 2.202115 1.522389 0.120206
C -2.285635 -1.522730 -0.143782
C 4.634539 1.132253 0.121367
C -4.717970 -1.132169 -0.145650
C 3.510052 2.013729 0.163176
C -3.593648 -2.013875 -0.186575
H 0.425150 -1.476772 -0.051137
H -0.508438 1.476421 0.026411
H 5.196201 -0.993986 0.015255
H -5.279322 0.994229 -0.041544
H 1.375426 2.237567 0.165348
H -1.459053 -2.238066 -0.188170
H 3.677512 3.095088 0.232064
H -3.761304 -3.095255 -0.254651
H 6.113145 2.619086 0.213488
H 6.731193 0.990521 0.134235
H -6.196858 -2.618817 -0.236469
H -6.814596 -0.990050 -0.158873
H 2.263905 -3.816405 1.818095
H -2.347301 3.814044 -1.847569


