%chk=000004258.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004258

0 1
 O    1.942100      -1.847300      -1.224300    
 O   0.4424000      -1.552600       2.123900    
 O    2.066600       1.210900       1.985900    
 O  -0.8599000       1.335400       1.520100    
 O    5.769800      0.5360000      0.9870000    
 O    4.660600       2.146800     -0.1984000    
 O   -3.060200       2.928700      -1.723400    
 O   -1.755100       3.450300      5.3800002E-02
 O   -6.679000      -1.908900     -2.6000000E-03
 N    2.842700     -0.3740000      0.4317000    
 N  -0.1244000     -0.3316000      8.3200000E-02
 C   0.9276000     -0.8612000      0.9572000    
 C    2.062100      -1.566500      0.1784000    
 C    2.009400      0.2102000       1.311300    
 C    3.966400     -0.1251000     -0.2794000    
 C    3.219500      -1.910100      -1.886700    
 C    4.226600     -0.8664000      -1.381700    
 C  -0.9382000      0.7375000      0.4484000    
 C    5.451900     -0.7586000      -2.248100    
 C    4.813000      0.9919000      0.1527000    
 C   -1.954600       1.110900     -0.6291000    
 C  -0.5453000      -2.543700       1.880500    
 C   -3.228100      0.2966000     -0.4600000    
 C   -2.232300       2.606600     -0.6938000    
 C   -3.610500     -0.5620000      -1.470500    
 C   -3.963700      0.4408000      0.6989000    
 C   -4.778600      -1.308400      -1.315700    
 C   -5.131700     -0.3057000      0.8540000    
 C   -5.539200      -1.180400     -0.1533000    
 H    2.463600      -2.441000      0.7091000    
 H  -0.2862000     -0.7670000     -0.8219000    
 H    3.626900      -2.917900      -1.750700    
 H    3.027400      -1.754500      -2.953300    
 H    6.170200     -2.4000000E-02  -1.873100    
 H    5.173100     -0.4610000      -3.264100    
 H    5.964700      -1.724800      -2.296600    
 H   -1.487500      0.8766000      -1.597100    
 H   -1.505000      -2.075000       1.645600    
 H  -0.2388000      -3.206400       1.065600    
 H  -0.6649000      -3.139900       2.788900    
 H    6.360000       1.254800       1.299100    
 H   -3.025600     -0.6696000      -2.378900    
 H   -3.661200       1.121500       1.488800    
 H   -5.085100      -1.986400      -2.107700    
 H   -5.720600     -0.2008000       1.761100    
 H   -3.223500       3.894700      -1.771900    
 H   -6.808000      -2.459400     -0.7941000    


%chk=000004258-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004258

0 1
O 2.133279 -1.397195 -1.447575
O 0.899070 -1.903991 2.020568
O 1.836544 1.242968 1.891084
O -1.621899 -0.247220 1.645949
O 4.926389 1.062892 1.886577
O 5.988096 1.864627 -0.022371
O -0.648958 1.278031 -2.103875
O -2.280452 2.523010 -1.007952
O -7.796715 -0.334338 0.553800
N 3.088780 -0.326658 0.493224
N -0.025317 -0.814724 0.022371
C 1.123018 -1.084528 0.878220
C 2.369993 -1.508682 -0.009831
C 2.001657 0.191889 1.267316
C 4.211187 0.188490 -0.203593
C 3.402795 -1.171491 -2.173947
C 4.414654 -0.249675 -1.495094
C -1.262326 -0.340743 0.448099
C 5.607243 0.084402 -2.358884
C 5.128460 1.118891 0.509556
C -2.205876 0.033374 -0.761452
C 0.049963 -3.091987 1.802402
C -3.679859 -0.056863 -0.414721
C -1.779626 1.414750 -1.266258
C -4.500828 -0.975553 -1.110260
C -4.261249 0.750698 0.597893
C -5.876287 -1.094849 -0.813566
C -5.629796 0.642664 0.903557
C -6.436988 -0.279586 0.197800
H 2.842888 -2.473326 0.247553
H 0.202183 -0.775224 -0.980983
H 3.886578 -2.150127 -2.386541
H 3.092272 -0.734347 -3.140350
H 6.484690 0.379772 -1.765620
H 5.376304 0.939692 -3.024098
H 5.868810 -0.773969 -3.007313
H -1.974757 -0.674195 -1.578601
H -1.004962 -2.792532 1.681948
H 0.384942 -3.682160 0.925761
H 0.164731 -3.685795 2.721249
H 5.493535 1.745128 2.336494
H -4.068682 -1.607539 -1.896254
H -3.639612 1.460215 1.148545
H -6.499335 -1.811502 -1.364240
H -6.088779 1.259252 1.681483
H -0.338724 2.181077 -2.384949
H -8.277632 -1.003025 0.005680


