%chk=000003718.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003718

0 1
 O    1.860800       2.202200      0.2415000    
 O   -6.482900     -0.2160000      0.6867000    
 O   -4.562600     -0.9968000       1.602500    
 N    1.236600     -6.1299998E-02 -9.7900003E-02
 C    1.962900      -1.327300     -0.2224000    
 C    3.385500     -0.9113000     -7.9499997E-02
 C    3.470100      0.4633000      0.1098000    
 C  -0.1465000      5.6499999E-02 -0.1673000    
 C    2.112300       1.018700      0.1004000    
 C   -2.928100      0.2932000     -0.3070000    
 C   -4.412300      0.4196000     -0.3818000    
 C  -0.7527000       1.309100     -3.7300002E-02
 C  -0.9393000      -1.077000     -0.3674000    
 C    4.530500      -1.685600     -0.1120000    
 C   -2.140800       1.427100     -0.1069000    
 C   -2.327400     -0.9589000     -0.4372000    
 C    4.675800       1.119600      0.2724000    
 C    5.764200      -1.047200      5.0099999E-02
 C    5.835900      0.3443000      0.2406000    
 C   -5.011700     -3.4299999E-02  -1.728400    
 C   -5.130100     -0.3377000      0.7410000    
 H    1.778100      -1.763100      -1.209100    
 H    1.667800      -2.002900      0.5865000    
 H   -4.683200       1.474900     -0.2391000    
 H  -0.2347000       2.242500      0.1194000    
 H  -0.5097000      -2.069000     -0.4737000    
 H    4.479800      -2.758900     -0.2585000    
 H   -2.594300       2.409500     -3.7000000E-03
 H   -2.923300      -1.853900     -0.5948000    
 H    4.728100       2.192100      0.4193000    
 H    6.679700      -1.632300      2.8700000E-02
 H    6.805600      0.8188000      0.3643000    
 H   -4.498400      0.4533000      -2.564600    
 H   -4.925600      -1.118300      -1.864300    
 H   -6.074700      0.2213000      -1.796900    
 H   -6.923300     -0.7113000       1.409900    


%chk=000003718-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003718

0 1
O 1.868012 2.342403 0.231232
O -5.663532 0.217023 1.645827
O -5.390507 -1.769791 0.478513
N 1.229048 0.043472 -0.069254
C 1.921428 -1.267584 -0.169845
C 3.386454 -0.904816 -0.031070
C 3.501413 0.492408 0.133614
C -0.188582 0.136525 -0.159228
C 2.148748 1.115733 0.112736
C -3.041198 0.268191 -0.357636
C -4.567242 0.357655 -0.508492
C -0.861695 1.387358 -0.065737
C -0.963539 -1.043410 -0.345012
C 4.530775 -1.721321 -0.047339
C -2.266154 1.436430 -0.162832
C -2.365798 -0.974439 -0.442329
C 4.752610 1.120484 0.286933
C 5.795877 -1.100262 0.105637
C 5.907151 0.305390 0.271229
C -5.035250 -0.056820 -1.927914
C -5.234262 -0.529506 0.539826
H 1.702485 -1.750606 -1.142395
H 1.583444 -1.950213 0.634344
H -4.876482 1.396570 -0.302437
H -0.279161 2.298281 0.082124
H -0.482283 -2.023659 -0.412991
H 4.457760 -2.807271 -0.174138
H -2.765759 2.409476 -0.083685
H -2.941258 -1.898210 -0.571803
H 4.810229 2.206426 0.412901
H 6.703412 -1.714103 0.096226
H 6.897905 0.757752 0.387455
H -4.525951 0.563604 -2.685005
H -4.797083 -1.116241 -2.122122
H -6.126630 0.074470 -2.040237
H -6.052285 -0.398497 2.326205


