%chk=000003746.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003746

1 1
 O  -0.3182000      -1.097900     -0.4785000    
 O   -1.412900     -0.2757000       1.373200    
 O   -2.205300      -3.249600     -0.7821000    
 N    3.497900      0.4696000     -0.2803000    
 C    2.632700      0.7714000      0.9611000    
 C    3.446300      -1.072500     -0.2724000    
 C    3.178900     -0.2168000       2.005000    
 C    3.707000      -1.414100       1.204100    
 C    1.157600      0.4616000      0.6496000    
 C    2.042500      -1.543800     -0.6920000    
 C    4.940100      0.9817000     -9.4200000E-02
 C   0.9256000     -0.9900000      0.2059000    
 C    3.011900       1.120800      -1.573700    
 C    4.891100       2.480800      0.1530000    
 C    5.741200      0.6285000      -1.337200    
 C   -1.424900     -0.7030000      0.2260000    
 C   -2.674500     -0.8816000     -0.6318000    
 C   -3.224900      -2.305600     -0.4694000    
 C   -3.714300      0.1813000     -0.3140000    
 C   -4.649000     -7.1099997E-02  0.6704000    
 C   -3.694300       1.368100      -1.019100    
 C   -5.603200      0.9038000      0.9616000    
 C   -4.648400       2.343000     -0.7277000    
 C   -5.602900       2.110800      0.2626000    
 H    2.711500       1.815000       1.263900    
 H    4.193600      -1.499900     -0.9411000    
 H    2.421000     -0.5184000       2.735900    
 H    3.997000      0.2397000       2.574400    
 H    4.779100      -1.546800       1.389500    
 H    3.224200      -2.349400       1.507800    
 H   0.6064000      0.6725000       1.572500    
 H   0.7537000       1.169700     -8.3499998E-02
 H    1.848100      -1.304300      -1.744200    
 H    2.001400      -2.640900     -0.6561000    
 H    5.387600      0.4878000      0.7721000    
 H   0.8694000      -1.631000       1.096300    
 H    3.585200      0.7587000      -2.428500    
 H    1.979300      0.8231000      -1.765400    
 H    2.997800       2.206300      -1.492900    
 H    5.925400       2.829300      0.2831000    
 H    4.505300       3.087000     -0.6680000    
 H    4.395400       2.767900       1.081700    
 H    6.806100      0.7639000      -1.105300    
 H    5.556000       1.305700      -2.178000    
 H    5.648400     -0.4007000      -1.684000    
 H   -2.367400     -0.7541000      -1.679800    
 H   -4.084900      -2.487500      -1.122800    
 H   -3.515200      -2.533000      0.5594000    
 H   -4.671100     -0.9813000       1.256900    
 H   -2.953300       1.558500      -1.789700    
 H   -1.935500      -3.093300      -1.703300    
 H   -6.342800      0.7262000       1.737100    
 H   -4.647500       3.283400      -1.271200    
 H   -6.344700       2.870500      0.4905000    


%chk=000003746-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003746

1 1
O -0.384451 -0.923681 -0.623972
O -1.413723 -1.117270 1.454931
O -2.693766 -3.643828 -0.463753
N 3.516045 0.612573 -0.272497
C 2.655433 0.731685 1.038958
C 3.402745 -0.941717 -0.492310
C 3.260483 -0.388028 1.926244
C 3.704640 -1.508576 0.925018
C 1.165780 0.481601 0.723462
C 1.978097 -1.298525 -0.967036
C 5.033902 1.008662 -0.013230
C 0.919868 -0.911001 0.087202
C 2.985334 1.438364 -1.429504
C 5.173185 2.377235 0.679180
C 5.863403 0.953230 -1.312678
C -1.518976 -1.067034 0.211229
C -2.799071 -1.151938 -0.604134
C -3.534755 -2.470470 -0.208287
C -3.696946 0.072523 -0.383985
C -4.083985 0.476922 0.920121
C -4.196123 0.782466 -1.504950
C -4.957441 1.573299 1.094098
C -5.071181 1.878142 -1.329088
C -5.454614 2.276320 -0.027915
H 2.788825 1.744208 1.447534
H 4.147745 -1.234361 -1.248329
H 2.506271 -0.748227 2.643747
H 4.112934 -0.017306 2.519299
H 4.769437 -1.765452 1.046962
H 3.139069 -2.441661 1.077357
H 0.608946 0.543381 1.674753
H 0.746326 1.272554 0.076869
H 1.739811 -0.829135 -1.936915
H 1.945294 -2.388465 -1.142336
H 5.400167 0.226689 0.669919
H 0.865223 -1.668863 0.890321
H 3.509365 1.149308 -2.350881
H 1.911671 1.274979 -1.565595
H 3.161333 2.503557 -1.219895
H 6.251160 2.595671 0.774934
H 4.733307 3.203207 0.093679
H 4.755298 2.397274 1.698512
H 6.930737 0.981523 -1.032444
H 5.677288 1.821229 -1.966921
H 5.713650 0.028281 -1.895336
H -2.517459 -1.207562 -1.670671
H -4.500361 -2.519907 -0.748296
H -3.727522 -2.479175 0.876151
H -3.695794 -0.057015 1.794718
H -3.905758 0.475884 -2.517647
H -2.747079 -3.892117 -1.420221
H -5.254313 1.875822 2.104210
H -5.454344 2.416036 -2.203009
H -6.135607 3.122989 0.109828


