%chk=000028421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028421

0 1
 O    3.728100      0.6271000      0.2780000    
 O    1.622000      0.3132000       1.012700    
 O    2.073600      0.2184000      -1.274100    
 O   -4.646400       1.440300     -0.3855000    
 N   -3.714900     -0.7064000     -9.8300003E-02
 C    4.754300      8.6499996E-02 -0.5607000    
 C    6.114200      0.4825000     -6.3000000E-03
 C    4.592500      -1.423900     -0.6400000    
 C   -2.372100     -0.4500000      0.1806000    
 C   0.3126000      6.2899999E-02  0.7388000    
 C   -1.908800      0.8647000      0.2293000    
 C   -1.493200      -1.508300      0.4112000    
 C  -0.5664000       1.121200      0.5082000    
 C  -0.1508000      -1.251700      0.6903000    
 C    2.449100      0.3721000     -0.1186000    
 C   -4.737100      0.2173000     -0.3542000    
 C   -6.056700     -0.4660000     -0.6115000    
 H    4.657600      0.5236000      -1.562400    
 H    6.927100      0.1050000     -0.6339000    
 H    6.197500       1.572900      5.6100000E-02
 H    6.247900      9.8700002E-02   1.011200    
 H    5.428800      -1.877400      -1.182000    
 H    3.674300      -1.720200      -1.155400    
 H    4.550300      -1.865500      0.3621000    
 H   -2.528000       1.735000      6.2500000E-02
 H   -1.840400      -2.537800      0.3766000    
 H  -0.2108000       2.147500      0.5457000    
 H   0.5287000      -2.080600      0.8695000    
 H   -3.974500      -1.690500     -0.1155000    
 H   -5.976700      -1.101800      -1.497600    
 H   -6.835400      0.2830000     -0.7802000    
 H   -6.333600      -1.076200      0.2529000    


%chk=000028421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028421

0 1
O 3.776181 0.342589 -0.072251
O 1.578972 0.458206 0.097128
O 2.530888 -1.439039 -0.960694
O -4.913438 1.319519 0.896272
N -3.997054 -0.525047 -0.233038
C 5.066598 -0.349670 -0.463404
C 6.090707 0.779062 -0.581339
C 5.406464 -1.401121 0.600847
C -2.598805 -0.264745 -0.139167
C 0.195098 0.115532 -0.036247
C -2.063352 0.880926 0.510947
C -1.714571 -1.204904 -0.729573
C -0.668686 1.060675 0.555962
C -0.316830 -1.029787 -0.687033
C 2.617936 -0.336126 -0.373813
C -5.060985 0.233861 0.261023
C -6.444257 -0.349325 -0.023399
H 4.885422 -0.837913 -1.439236
H 7.067144 0.365916 -0.892140
H 5.770508 1.524184 -1.328887
H 6.219668 1.290363 0.388373
H 6.366975 -1.887976 0.351349
H 4.629135 -2.182214 0.647135
H 5.504269 -0.928217 1.593855
H -2.740133 1.605458 0.965804
H -2.117532 -2.093197 -1.233159
H -0.234630 1.935013 1.049437
H 0.351894 -1.760687 -1.142267
H -4.247638 -1.382560 -0.729775
H -7.036570 0.393857 -0.584355
H -6.963148 -0.522669 0.935172
H -6.427433 -1.294366 -0.594025


