%chk=000002680.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002680

0 1
 O   0.7376000      -1.176100     -0.4425000    
 O   0.9358000       1.104700      4.9699999E-02
 O   -7.238600       2.217900      0.5953000    
 O   -7.570700      5.5999998E-03  0.2018000    
 N    7.872400       1.362500      3.6800001E-02
 C    5.668600      0.3804000      0.4969000    
 C    2.891900     -0.2515000     -0.3204000    
 C    4.948800     -0.8747000       1.008500    
 C    5.119600      0.8055000     -0.8716000    
 C    3.434100     -0.6823000       1.042600    
 C    3.605100      0.9987000     -0.8360000    
 C    7.176200      0.1454000      0.4238000    
 C    1.421700      1.1200000E-02 -0.2072000    
 C  -0.6487000      -1.027500     -0.3574000    
 C   -1.349000     -0.6977000      -1.496700    
 C   -1.261400      -1.215100      0.8616000    
 C   -3.381600     -0.7320000     -0.1913000    
 C   -2.733300     -0.5481000      -1.412500    
 C   -2.645700      -1.065500      0.9458000    
 C   -4.861500     -0.5729000     -0.1012000    
 C   -5.309800      0.8556000      0.2296000    
 C   -6.811700      0.9558000      0.3445000    
 H    5.473800       1.192000       1.212600    
 H    3.049800      -1.053900      -1.053400    
 H    5.303100      -1.125000       2.015600    
 H    5.188800      -1.731200      0.3654000    
 H    5.367500      4.8000000E-02  -1.626400    
 H    5.577700       1.744800      -1.202100    
 H    3.179700      6.7100003E-02   1.803800    
 H    2.955700      -1.616900       1.360200    
 H    3.243300       1.249800      -1.840800    
 H    3.375200       1.863500     -0.1996000    
 H    7.552100     -0.1837000       1.399300    
 H    7.408000     -0.6457000     -0.2983000    
 H    7.693200       2.095400      0.7220000    
 H    8.878000       1.197700      5.0999999E-02
 H  -0.8442000     -0.5548000      -2.447000    
 H  -0.6884000      -1.474600       1.746300    
 H   -3.295100     -0.2862000      -2.305300    
 H   -3.138700      -1.209700       1.903600    
 H   -5.255200      -1.268200      0.6529000    
 H   -5.321900     -0.8947000      -1.045200    
 H   -4.978400       1.543000     -0.5571000    
 H   -4.873400       1.176200       1.182400    
 H   -8.216500       2.269000      0.6543000    


%chk=000002680-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002680

0 1
O 0.664896 -0.538633 -0.207766
O 1.363508 1.535836 -1.086013
O -7.749189 0.789524 1.804381
O -7.977405 -0.229016 -0.269808
N 8.348283 0.405130 -0.171525
C 5.918823 0.444860 0.411386
C 3.014647 -0.063565 -0.181935
C 4.891675 0.187949 1.541161
C 5.456692 -0.242383 -0.895333
C 3.468765 0.636937 1.137859
C 4.040172 0.206281 -1.315950
C 7.339121 -0.000805 0.828925
C 1.631579 0.433206 -0.563119
C -0.749446 -0.397555 -0.369435
C -1.412251 0.692549 -0.980857
C -1.478519 -1.496065 0.139400
C -3.582206 -0.425322 -0.559805
C -2.823055 0.658590 -1.065178
C -2.883386 -1.504151 0.042975
C -5.102290 -0.418543 -0.622188
C -5.716807 0.203715 0.655758
C -7.232514 0.208832 0.634046
H 5.945836 1.543560 0.226958
H 2.948940 -1.151426 0.007118
H 5.196121 0.720318 2.464563
H 4.881413 -0.895769 1.784521
H 5.464879 -1.342897 -0.739878
H 6.187922 -0.029707 -1.695816
H 3.453450 1.733535 0.978769
H 2.751386 0.410407 1.949627
H 3.730703 -0.324882 -2.236576
H 4.033369 1.288222 -1.551489
H 7.544056 0.391406 1.856375
H 7.358662 -1.106600 0.900702
H 8.462494 1.420933 -0.251877
H 9.249633 -0.073523 -0.087495
H -0.845118 1.534761 -1.377498
H -0.932066 -2.326548 0.596432
H -3.339780 1.498615 -1.545645
H -3.443095 -2.363416 0.431990
H -5.493128 -1.445416 -0.741244
H -5.454138 0.151929 -1.500663
H -5.368116 1.244635 0.796120
H -5.386389 -0.342445 1.560079
H -8.744226 0.778737 1.762249


