%chk=000028848.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028848

0 1
 O    1.691300       1.374800      0.8622000    
 O    1.054600      -1.328900      0.9716000    
 O   -4.909700      0.8072000     -0.4315000    
 O   -3.118700      4.5899998E-02   1.411300    
 O  -7.3399998E-02  -1.099000      -1.049500    
 N   -1.161100      -1.824400      0.8688000    
 C    1.130900       2.373200      1.1900000E-02
 C    2.501600      0.4483000      0.2786000    
 C    1.609700       3.743900      0.4658000    
 C  -0.3860000       2.263800      4.3600000E-02
 C    2.212500     -0.8974000      0.3172000    
 C    3.659200      0.8662000     -0.3783000    
 C    3.021000      -1.847300     -0.2674000    
 C   -2.471000      -1.996700      0.3132000    
 C    4.497300     -7.2499998E-02 -0.9798000    
 C    4.178300      -1.429100     -0.9243000    
 C   -3.251600     -0.7059000      0.4461000    
 C  -6.3500002E-02  -1.389600      0.1430000    
 C   -4.258600     -0.4262000     -0.6514000    
 C   -5.862700       1.093800      -1.450900    
 H    1.443900       2.230900      -1.031500    
 H    1.198700       4.537900     -0.1651000    
 H    2.702000       3.807200      0.4350000    
 H    1.314600       3.934700       1.503600    
 H  -0.8543000       3.060400     -0.5430000    
 H  -0.7188000       1.306400     -0.3622000    
 H  -0.7607000       2.318900       1.071600    
 H    3.930300       1.916900     -0.4234000    
 H    2.773300      -2.903200     -0.2238000    
 H   -2.990400      -2.789200      0.8579000    
 H   -2.382300      -2.270200     -0.7424000    
 H    5.399700      0.2525000      -1.489400    
 H    4.831400      -2.160100      -1.392000    
 H   -1.028900      -2.020000       1.856600    
 H   -4.991600      -1.240200     -0.6563000    
 H   -3.722700     -0.3951000      -1.606300    
 H   -6.639600      0.3236000      -1.474900    
 H   -6.329700       2.055900      -1.223700    
 H   -5.369900       1.164400      -2.425300    


%chk=000028848-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028848

0 1
O 0.683849 0.935457 0.167599
O 1.015931 -1.660960 0.849035
O -3.956660 0.980426 -0.842509
O -3.470739 0.216745 1.791203
O -0.615083 -1.873568 -0.865668
N -1.176251 -1.868263 1.413140
C 0.503649 2.415142 0.019642
C 1.829902 0.322217 -0.341599
C 1.450908 3.156728 0.979454
C -0.974397 2.667736 0.326059
C 1.973839 -1.057250 -0.017181
C 2.823945 0.933878 -1.144070
C 3.072329 -1.805272 -0.460926
C -2.623554 -2.001638 1.200285
C 3.931986 0.178757 -1.594621
C 4.066480 -1.184749 -1.254370
C -3.255268 -0.615429 0.880187
C -0.310460 -1.789840 0.347768
C -3.521862 -0.378987 -0.600312
C -4.256929 1.209517 -2.257649
H 0.722861 2.682927 -1.035007
H 1.329866 4.248805 0.858569
H 2.509634 2.904914 0.797065
H 1.207212 2.894826 2.023971
H -1.195179 3.747776 0.245389
H -1.639335 2.125219 -0.366226
H -1.221272 2.339739 1.350766
H 2.744429 1.989186 -1.420317
H 3.136073 -2.861539 -0.182223
H -3.085347 -2.391583 2.123024
H -2.792395 -2.714139 0.374256
H 4.693009 0.666489 -2.213577
H 4.928103 -1.762575 -1.602746
H -0.819093 -1.618026 2.335673
H -4.297062 -1.119976 -0.920190
H -2.590113 -0.635599 -1.156649
H -5.089420 0.561723 -2.605984
H -4.559489 2.264968 -2.336191
H -3.368997 1.028019 -2.899469


