%chk=000004683.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004683

0 1
 S   0.3506000       2.281400      0.3901000    
 O    1.395700     -0.1852000      0.5719000    
 O    3.898200      0.2874000      -1.976400    
 O    4.500500      -1.903300     -0.3787000    
 O    3.289600       1.906100       1.228300    
 O   0.5216000      -2.781600      0.8008000    
 O   -5.265000      -1.055100      -1.542800    
 O   -5.685900     -0.8490000      0.7759000    
 N   -4.846200     -0.6002000     -0.3003000    
 C    3.973000      0.4580000     -0.5616000    
 C    3.691600     -0.8663000      0.1627000    
 C    2.981200       1.540700     -0.1178000    
 C    2.210000      -1.253400      7.6899998E-02
 C    1.535900       1.017900     -0.1890000    
 C    1.902100      -2.489200      0.9174000    
 C   -1.201500       1.418800      0.1842000    
 C   -1.583800      0.9751000      -1.078500    
 C   -2.020800       1.195600       1.287300    
 C   -2.795300      0.3027000      -1.239500    
 C   -3.232100      0.5232000       1.126300    
 C   -3.619400      7.6600000E-02 -0.1372000    
 H    4.999700      0.7722000     -0.3376000    
 H    3.971200     -0.7353000       1.216300    
 H    3.096600       2.428800     -0.7509000    
 H    1.916900      -1.464900     -0.9601000    
 H    1.291900      0.7970000      -1.234800    
 H    2.116200      -2.305400       1.975600    
 H    2.467000      -3.362200      0.5789000    
 H    4.503500     -0.4357000      -2.213700    
 H    4.496200      -2.644600      0.2495000    
 H    2.638600       2.574000       1.503300    
 H   0.3467000      -3.565800       1.348400    
 H  -0.9631000       1.148700      -1.953600    
 H   -1.734200       1.536300       2.279000    
 H   -3.074100     -3.2000002E-02  -2.235100    
 H   -3.855200      0.3610000       2.001700    
 H   -6.046300     -0.4989000      -1.701200    
 H   -6.458300     -0.3032000      0.5514000    


%chk=000004683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004683

0 1
S 0.379881 2.323956 0.086162
O 1.623996 0.066297 0.967974
O 3.392292 -0.472164 -2.076316
O 4.523008 -2.045378 -0.212716
O 3.482634 2.192752 0.509155
O 0.827296 -2.645386 1.890793
O -5.817274 0.286786 -1.661481
O -5.010177 -1.732287 -0.597930
N -5.148647 -0.248002 -0.429876
C 3.862785 0.153823 -0.837275
C 3.802432 -0.874048 0.322035
C 2.949136 1.380288 -0.590305
C 2.334259 -1.210216 0.685142
C 1.529422 0.891104 -0.267624
C 2.174331 -2.065996 1.935123
C -1.245234 1.471571 -0.120841
C -2.290038 2.192704 -0.746098
C -1.479922 0.161737 0.362063
C -3.568635 1.615430 -0.884793
C -2.751069 -0.427400 0.203562
C -3.799354 0.300151 -0.412129
H 4.908516 0.503900 -0.943084
H 4.323783 -0.456786 1.209245
H 2.958438 2.018922 -1.487983
H 1.856177 -1.722967 -0.174902
H 1.110079 0.289026 -1.092900
H 2.320234 -1.426884 2.830692
H 2.938839 -2.876587 1.942867
H 3.869776 -1.339234 -2.160537
H 4.653137 -2.727392 0.490423
H 3.082459 1.846355 1.352024
H 0.564881 -2.959753 2.791368
H -2.103744 3.197624 -1.139328
H -0.680441 -0.394306 0.862712
H -4.373635 2.159766 -1.382600
H -2.931238 -1.447744 0.548178
H -6.765770 0.368353 -1.370284
H -5.789312 -2.077817 -0.083416


