%chk=000048772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048772

0 1
 O  -6.0400002E-02   2.281000     -0.4433000    
 O   -1.176600      -2.322100      0.2397000    
 O    3.158500     -0.9398000      0.5173000    
 N    1.570700      0.6984000      2.4900001E-02
 N   0.9756000      -1.563000      0.3593000    
 C  -0.8055000      1.3500000E-02 -0.2216000    
 C   -1.441500     -3.4800000E-02  -1.618100    
 C   0.2519000       1.105800     -0.2232000    
 C   -1.809900      0.4165000      0.8217000    
 C  -0.3767000      -1.389100      0.1452000    
 C  -0.4676000     -0.5764000      -2.642600    
 C    1.986700     -0.6120000      0.3108000    
 C   -1.321200      0.4310000       2.239700    
 C    2.586800       1.746300     -1.2300000E-02
 C   -3.070700      0.7447000      0.5027000    
 H   -1.762600      0.9594000      -1.955900    
 H   -2.318700     -0.6954000      -1.643700    
 H   0.4460000      2.3000000E-02  -2.702100    
 H  -0.1883000      -1.616200      -2.447900    
 H  -0.9307000     -0.5547000      -3.635600    
 H    1.270000      -2.509000      0.5865000    
 H   -1.028000     -0.5685000       2.575000    
 H  -0.4674000       1.104500       2.362400    
 H   -2.099200      0.7797000       2.928400    
 H    2.552200       2.237200     -0.9903000    
 H    3.593700       1.359700      0.1609000    
 H    2.349700       2.491100      0.7544000    
 H   -3.768400       1.029600       1.285900    
 H   -3.482100      0.7648000     -0.4973000    


%chk=000048772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048772

0 1
O 0.060768 2.211334 -0.733525
O -1.132909 -2.446210 0.026059
O 3.142873 -0.900892 0.871685
N 1.586800 0.684368 0.093425
N 0.967234 -1.592899 0.451364
C -0.844405 -0.019231 -0.285341
C -1.509697 -0.072324 -1.698281
C 0.285034 1.038951 -0.335963
C -1.824969 0.423934 0.843380
C -0.374444 -1.445163 0.065131
C -0.547787 -0.508652 -2.823580
C 1.976411 -0.612648 0.500072
C -1.227547 0.510591 2.238618
C 2.619918 1.749844 0.082722
C -3.126849 0.711585 0.602654
H -1.903655 0.935497 -1.916454
H -2.355475 -0.779450 -1.638515
H 0.304074 0.188317 -2.928942
H -0.151437 -1.526967 -2.655355
H -1.082592 -0.520817 -3.789703
H 1.272612 -2.536523 0.713725
H -0.815925 -0.462279 2.570950
H -0.403152 1.248875 2.285642
H -1.991144 0.817401 2.971974
H 2.751542 2.133024 -0.941964
H 3.558372 1.315386 0.454095
H 2.298959 2.585080 0.725695
H -3.787276 1.017607 1.422044
H -3.579035 0.657460 -0.390712


