%chk=000004385.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004385

0 1
 O    3.212300     -0.3763000      0.4165000    
 O  -0.9148000     -0.2582000       1.770300    
 O    1.742300      0.4512000      -1.142100    
 O   -4.630900     -0.4941000      -1.213100    
 N    1.158100      -1.284100      0.2839000    
 N   -2.189600     -0.1454000     -0.1654000    
 N   -5.620300       1.013400      0.2096000    
 C    4.197900      0.5657000     -2.1500001E-02
 C  -0.1871000      -1.496400     -0.1818000    
 C    3.645200       1.976100      0.1784000    
 C    4.500300      0.3030000      -1.496100    
 C    5.448100      0.3528000      0.8293000    
 C   -3.227000      0.7112000      0.3600000    
 C   -1.106400     -0.5632000      0.5951000    
 C  -0.6108000      -2.946400     -7.1999999E-03
 C    2.011600     -0.3285000     -0.2343000    
 C   -2.891400       2.177200      0.1359000    
 C   -4.537500      0.3420000     -0.3177000    
 H  -0.2210000      -1.234900      -1.246300    
 H    3.162900       2.073700       1.158000    
 H    4.454700       2.714100      0.1285000    
 H    2.916300       2.290200     -0.5729000    
 H    3.733500      0.6587000      -2.188700    
 H    5.425500      0.8113000      -1.793100    
 H    4.631600     -0.7690000      -1.684000    
 H    6.252900       1.041100      0.5515000    
 H    5.222600      0.4942000       1.892700    
 H    5.818300     -0.6735000      0.7254000    
 H   -3.329500      0.5192000       1.434800    
 H    1.490000      -1.832400       1.072100    
 H   -2.259100     -0.4428000      -1.134600    
 H  -0.5940000      -3.241300       1.048300    
 H   -1.629000      -3.104500     -0.3780000    
 H   6.1500002E-02  -3.617900     -0.5516000    
 H   -3.636500       2.840300      0.5866000    
 H   -1.917800       2.426400      0.5722000    
 H   -2.843300       2.412000     -0.9338000    
 H   -6.556100      0.8515000     -0.1479000    
 H   -5.536100       1.672700      0.9765000    


%chk=000004385-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004385

0 1
O 2.775554 -0.230709 0.286493
O -2.138670 -1.695389 1.696630
O 1.024325 -0.180488 -1.321975
O -2.355679 1.655346 -1.922555
N 1.004730 -1.632026 0.505331
N -1.716283 -0.259173 -0.085977
N -4.371670 2.145763 -0.878735
C 3.578516 0.891915 -0.364655
C -0.283942 -2.255242 0.136404
C 2.740827 2.186507 -0.366668
C 4.001725 0.459195 -1.782367
C 4.787766 1.000574 0.580110
C -2.773105 0.680101 0.301894
C -1.467283 -1.387623 0.659263
C -0.366543 -3.685383 0.685862
C 1.560908 -0.635621 -0.268033
C -2.328062 1.599996 1.474795
C -3.140232 1.521215 -0.938298
H -0.322628 -2.259225 -0.968572
H 2.405086 2.430526 0.657146
H 3.362152 3.023960 -0.733583
H 1.861692 2.086480 -1.022349
H 3.123795 0.354951 -2.438933
H 4.679033 1.220016 -2.211914
H 4.542794 -0.503097 -1.746985
H 5.470723 1.792917 0.225230
H 4.460669 1.250317 1.604228
H 5.342089 0.046753 0.613463
H -3.645181 0.086489 0.639172
H 1.464040 -1.895296 1.378238
H -1.117887 -0.008744 -0.890404
H -0.401841 -3.678591 1.789236
H -1.292818 -4.172216 0.338448
H 0.498019 -4.279507 0.341910
H -3.144473 2.275866 1.788138
H -2.045853 0.969871 2.334375
H -1.460824 2.213039 1.173234
H -4.649716 2.751471 -1.650609
H -5.014353 2.004164 -0.101487


