%chk=000034428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034428

0 1
 O   0.4557000      0.1533000     -0.3996000    
 O   -5.717400     -0.5541000      0.1684000    
 O   0.3420000      0.2194000       1.927500    
 O    2.029900       3.886600     -0.3794000    
 O   0.2680000       2.580000     -0.4684000    
 N    2.071600      -2.042700     -0.2396000    
 N    1.508000       2.746800     -0.3882000    
 C    2.623000     -0.8143000     -0.2308000    
 C    4.018100     -0.6253000     -0.1410000    
 C    1.813000      0.3151000     -0.3113000    
 C    2.351000       1.604300     -0.3048000    
 C    4.559600      0.6713000     -0.1343000    
 C    3.726000       1.783100     -0.2161000    
 C    4.833900      -1.761800     -5.9900001E-02
 C   -1.656400     -6.1500002E-02  0.6573000    
 C  -0.1923000      0.1154000      0.8334000    
 C    4.268600      -3.028900     -6.8800002E-02
 C   -4.375800     -0.3913000      0.3298000    
 C   -2.511400      0.4834000       1.592900    
 C   -2.115400     -0.7657000     -0.4367000    
 C    2.894100      -3.113600     -0.1595000    
 C   -3.886300      0.3166000       1.427400    
 C   -3.490200     -0.9324000     -0.6024000    
 C   -6.202300     -0.6622000      -1.169100    
 C   -7.615000     -0.1214000      -1.226600    
 H    5.634700      0.8217000     -6.5200001E-02
 H    4.186800       2.767100     -0.2077000    
 H    5.914900      -1.665800      1.0800000E-02
 H    4.884500      -3.918300     -6.8999999E-03
 H   -2.142200       1.039600       2.449400    
 H   -1.445300      -1.212800      -1.164800    
 H   -4.571400      0.7414000       2.156100    
 H   -3.828500      -1.515900      -1.453600    
 H    2.395900      -4.077500     -0.1708000    
 H   -5.596900     -7.5499997E-02  -1.871600    
 H   -6.196100      -1.715600      -1.470100    
 H   -8.023300     -0.1988000      -2.238300    
 H   -8.266800     -0.6721000     -0.5402000    
 H   -7.639500      0.9281000     -0.9149000    


%chk=000034428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034428

0 1
O 0.540692 0.467365 -0.294873
O -5.783437 -0.516600 0.051641
O 0.358769 0.159113 2.027638
O 2.550274 3.862614 -1.433939
O 0.811644 3.182259 -0.123004
N 1.937714 -1.875846 0.185364
N 1.945564 2.983996 -0.698471
C 2.664902 -0.717998 -0.034679
C 4.110207 -0.690179 -0.075790
C 1.930851 0.507300 -0.237397
C 2.640671 1.690593 -0.497975
C 4.789637 0.539775 -0.355989
C 4.067691 1.706112 -0.579015
C 4.796541 -1.926031 0.159184
C -1.634780 0.015625 0.620592
C -0.202728 0.192991 0.918510
C 4.058557 -3.085280 0.401942
C -4.405816 -0.332972 0.164131
C -2.519295 -0.227058 1.710408
C -2.156918 0.081443 -0.695524
C 2.627017 -3.011343 0.396589
C -3.890264 -0.401085 1.487364
C -3.533728 -0.090846 -0.931440
C -6.393851 -0.443569 -1.296106
C -7.891812 -0.666383 -1.113085
H 5.884268 0.553318 -0.393396
H 4.557985 2.654815 -0.811138
H 5.891955 -1.944973 0.143661
H 4.549739 -4.045183 0.587646
H -2.106664 -0.274167 2.723298
H -1.476766 0.271348 -1.529658
H -4.585740 -0.587688 2.310679
H -3.913911 -0.032966 -1.954852
H 2.028997 -3.913318 0.570658
H -6.183098 0.551453 -1.737500
H -5.943918 -1.224129 -1.942479
H -8.402566 -0.621416 -2.092048
H -8.087614 -1.653583 -0.661313
H -8.323969 0.108194 -0.457234


