%chk=000005673.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005673

0 1
 O   -2.692200       1.921700      0.5238000    
 O   -2.487800       1.958200      -1.781900    
 N    3.250500     -0.3866000      4.6900000E-02
 N  -0.4613000     -0.2393000     -0.3172000    
 C    1.693900       1.668100      4.3800000E-02
 C    2.008400      0.2329000     -0.4818000    
 C    1.918800       1.758600       1.570700    
 C   0.8389000     -0.6823000     -0.3022000    
 C    3.370900     -0.2958000       1.506500    
 C    3.249700       1.145100       1.994900    
 C    2.610200       2.677600     -0.6816000    
 C    3.384400      -1.790600     -0.4247000    
 C   0.9019000      -2.040200     -0.1580000    
 C   0.2347000       2.046400     -0.2427000    
 C    2.212000      -2.740400     -5.3100001E-02
 C  -0.7474000       1.131900     -0.4012000    
 C  -0.4345000      -2.501700     -0.1064000    
 C   -1.276100      -1.371700     -0.1985000    
 C    2.345000       2.669700      -2.168400    
 C   -2.067300       1.716200     -0.6624000    
 C   -1.006600      -3.784100      3.2200001E-02
 C   -2.672800      -1.519400     -0.1131000    
 C   -2.394100      -3.921800      8.8000000E-02
 C   -3.213300      -2.802800      2.1700000E-02
 C   -4.002100       2.491700      0.4343000    
 C   -4.563800       2.658600       1.830100    
 H    2.135100      0.2613000      -1.569300    
 H    1.114100       1.233900       2.104300    
 H    1.876100       2.802400       1.907500    
 H    4.351700     -0.6784000       1.814000    
 H    2.616300     -0.9070000       2.016600    
 H    4.086800       1.743400       1.617300    
 H    3.323500       1.164100       3.088700    
 H    3.670100       2.460600     -0.5083000    
 H    2.432400       3.689900     -0.2955000    
 H    4.328900      -2.219400     -6.7199998E-02
 H    3.476100      -1.764300      -1.519300    
 H  -2.9000000E-03   3.109100     -0.2689000    
 H    2.341300      -3.095700      0.9762000    
 H    2.230600      -3.616800     -0.7104000    
 H    2.788700       1.807800      -2.674200    
 H    1.288900       2.735200      -2.441700    
 H    2.831300       3.546100      -2.614400    
 H  -0.3744000      -4.665300      0.1023000    
 H   -3.337500     -0.6641000     -0.1612000    
 H   -2.833500      -4.909600      0.1945000    
 H   -4.292400      -2.923100      7.6700002E-02
 H   -3.942400       3.467700     -6.0199998E-02
 H   -4.650100       1.827800     -0.1489000    
 H   -5.566800       3.093000       1.798800    
 H   -4.612500       1.692500       2.343400    
 H   -3.916400       3.305600       2.431100    


%chk=000005673-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005673

0 1
O -2.678666 2.441345 0.353842
O -3.232505 0.550085 -0.888120
N 3.199421 -0.321206 -0.169823
N -0.563663 -0.539567 -0.125001
C 1.488277 1.542245 0.299361
C 1.853800 0.249043 -0.503516
C 1.796642 1.323106 1.824797
C 0.805995 -0.822438 -0.333273
C 3.441406 -0.506219 1.287391
C 3.234654 0.811140 2.053535
C 2.290301 2.774780 -0.227985
C 3.405525 -1.588790 -0.932500
C 1.032721 -2.185970 -0.345981
C -0.005571 1.796952 0.166148
C 2.418870 -2.749116 -0.549849
C -0.959529 0.821514 -0.004294
C -0.246987 -2.824539 -0.092300
C -1.239738 -1.783283 0.050353
C 1.992368 3.190164 -1.685616
C -2.384904 1.203066 -0.231265
C -0.626519 -4.182488 0.043495
C -2.584716 -2.094747 0.342413
C -1.970624 -4.492186 0.330599
C -2.933588 -3.456079 0.481241
C -4.050040 2.969985 0.080742
C -4.146285 4.320424 0.782651
H 1.900288 0.533382 -1.575295
H 1.083607 0.580783 2.234944
H 1.619878 2.272381 2.365333
H 4.482410 -0.863364 1.403547
H 2.770213 -1.279004 1.735862
H 3.979149 1.558150 1.722820
H 3.400374 0.635101 3.133574
H 3.369762 2.558938 -0.134106
H 2.071627 3.630061 0.444082
H 4.450199 -1.918712 -0.781399
H 3.281643 -1.351227 -2.006386
H -0.358597 2.830404 0.228502
H 2.765712 -3.265875 0.368749
H 2.431534 -3.510343 -1.354966
H 2.323760 2.423226 -2.408696
H 0.913321 3.364889 -1.850901
H 2.528107 4.124478 -1.934583
H 0.119099 -4.978001 -0.067429
H -3.348851 -1.322275 0.432437
H -2.280753 -5.537435 0.439942
H -3.975089 -3.716254 0.701422
H -4.183743 3.047839 -1.013717
H -4.785307 2.239429 0.463774
H -5.150118 4.753849 0.620989
H -3.985508 4.212200 1.868786
H -3.396363 5.026857 0.387271


