%chk=000028749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028749

0 1
 S    2.357900       1.397800     -0.7298000    
 O    3.521000      -1.434300     -3.5500001E-02
 O    2.092900       2.619500      9.7800002E-02
 O  -1.5100000E-02  0.6819000       1.688500    
 N  -0.7270000     -0.1489000     -0.3970000    
 C    4.070700      0.8858000     -0.4770000    
 C    1.581100      3.2000002E-02  0.1111000    
 C    4.188400     -0.5496000     -0.9324000    
 C    2.221800      -1.137100      0.3301000    
 C   0.1955000      0.2295000      0.5666000    
 C    1.589500      -2.293600       1.058200    
 C   -2.139300     -9.7000003E-02 -0.3039000    
 C   -2.903800     -0.5215000      -1.377300    
 C   -2.723900      0.3764000      0.8585000    
 C   -4.294700     -0.4709000      -1.285800    
 C   -4.114900      0.4269000      0.9500000    
 C   -4.900300      3.1000001E-03 -0.1222000    
 H    4.319800       1.000100      0.5830000    
 H    4.709200       1.544700      -1.071500    
 H    3.800800     -0.7056000      -1.946900    
 H    5.243200     -0.8439000     -0.9405000    
 H    2.206000      -2.570200       1.920400    
 H    1.528400      -3.160600      0.3916000    
 H   0.5823000      -2.094200       1.432100    
 H  -0.3670000     -0.5075000      -1.279500    
 H   -2.442100     -0.8926000      -2.288000    
 H   -2.184400      0.7211000       1.728400    
 H   -4.906300     -0.8007000      -2.120500    
 H   -4.587900      0.7958000       1.855500    
 H   -5.983300      4.2399999E-02 -5.0799999E-02


%chk=000028749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028749

0 1
S 1.833413 -0.086216 -1.796206
O 3.903994 -1.104570 0.502037
O 0.974246 1.378602 -1.861039
O -0.364182 -1.821091 1.133069
N -0.787301 0.018057 -0.274530
C 3.633410 0.482079 -1.411787
C 1.501201 -0.773769 -0.025797
C 4.382917 -0.709818 -0.839858
C 2.534669 -1.148228 0.804065
C 0.039382 -0.912480 0.333748
C 2.385984 -1.630080 2.225443
C -2.204477 0.103688 -0.205274
C -2.813160 1.143995 -0.963447
C -3.018485 -0.773403 0.563731
C -4.212080 1.305665 -0.952966
C -4.419516 -0.598562 0.559009
C -5.026889 0.433971 -0.191569
H 3.522413 1.326350 -0.714026
H 4.045452 0.820013 -2.374970
H 4.313378 -1.591937 -1.507855
H 5.447310 -0.471491 -0.682716
H 2.803330 -0.869827 2.911423
H 2.970927 -2.557036 2.359229
H 1.333731 -1.826101 2.465957
H -0.307776 0.749658 -0.858933
H -2.183195 1.815903 -1.559047
H -2.548038 -1.565674 1.147873
H -4.666351 2.110691 -1.541373
H -5.040736 -1.278684 1.153117
H -6.115072 0.559095 -0.184104


