%chk=000004181.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004181

0 1
 S    3.140200      -2.035800      0.8637000    
 S    5.292900     -0.7883000     -0.7351000    
 O  -0.9516000       1.701500       1.135900    
 O   -2.051500      0.9981000      -1.424100    
 O   0.7347000      -1.001200     -0.6676000    
 O   -3.372700     -0.7548000       1.497000    
 O   -4.515900      -1.406800     -0.9892000    
 N    2.986200      0.5530000      6.7599997E-02
 C  -0.8007000      0.3963000      0.5803000    
 C   -2.018400      9.0700001E-02 -0.3240000    
 C   0.5525000      0.3181000     -0.1585000    
 C   -3.366400      0.1841000      0.4237000    
 C    1.729600      0.6497000      0.7633000    
 C   -4.578000     -8.9100003E-02 -0.4679000    
 C    3.425600       1.802400     -0.5845000    
 C    3.793600     -0.6180000      1.9400001E-02
 H  -0.7941000     -0.3260000       1.405600    
 H   -1.900100     -0.9199000     -0.7318000    
 H   0.5545000       1.007100      -1.010300    
 H   -3.496700       1.188100      0.8457000    
 H    1.720800       0.000000       1.642800    
 H    1.640000       1.671300       1.151700    
 H   -4.635600      0.6152000      -1.302600    
 H   -5.503900     -1.0600000E-02  0.1119000    
 H  -0.3974000       1.750800       1.932800    
 H   -2.109000       1.898500      -1.061100    
 H   0.7183000      -1.616600      8.5100003E-02
 H   -2.807900     -0.4002000       2.204000    
 H    3.721200       2.508000      0.1980000    
 H    2.590800       2.222400      -1.153500    
 H    4.262600       1.662800      -1.268200    
 H   -4.451700      -2.017300     -0.2350000    
 H    4.156900      -2.865900      0.5891000    


%chk=000004181-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004181

0 1
S 2.956029 -2.389282 -0.165608
S 5.259372 -0.456148 -0.998327
O -1.099719 0.496954 1.530916
O -1.789995 1.994796 -1.164412
O 0.680325 -0.378318 -1.650146
O -3.530712 1.643261 0.931063
O -3.319458 -0.987695 1.887814
N 2.913313 0.326168 0.166256
C -0.949746 0.017974 0.126761
C -2.070449 0.607197 -0.773106
C 0.456797 0.373098 -0.406807
C -3.468550 0.571821 -0.092669
C 1.536459 0.111441 0.671400
C -3.887518 -0.788081 0.528129
C 3.368025 1.729873 0.033605
C 3.716192 -0.667402 -0.317852
H -1.044733 -1.089762 0.124180
H -2.085290 0.034338 -1.717293
H 0.461389 1.431749 -0.717313
H -4.219220 0.856469 -0.850805
H 1.449892 -0.916149 1.068798
H 1.355314 0.789912 1.520771
H -3.523761 -1.638341 -0.073271
H -4.989235 -0.842325 0.593650
H -1.718356 -0.176585 1.961159
H -2.255064 2.581079 -0.506660
H 1.119680 -1.249344 -1.445640
H -2.659866 1.572801 1.435909
H 2.663724 2.380877 0.575486
H 3.407512 2.026175 -1.029884
H 4.382341 1.836794 0.453271
H -3.866308 -0.451754 2.516913
H 4.020416 -2.983992 -0.812088


