%chk=000004335.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004335

0 1
 O   -1.270700      0.5227000       2.051600    
 O   -1.991400      -2.351600      -1.067800    
 O   -4.226100       1.472500      -1.151800    
 O    5.304400     -0.6547000     -0.1863000    
 O    4.903400       1.412000     -0.8085000    
 N   -3.323500     -0.1383000      0.2644000    
 N    4.516800      0.3074000     -0.3561000    
 C   -1.952800     -6.4199999E-02 -0.2047000    
 C  -0.9887000     -0.3636000      0.9635000    
 C   0.4715000     -0.1856000      0.6144000    
 C   -1.778700     -0.9893000      -1.415000    
 C    1.345700      -1.243000      0.8001000    
 C   0.9043000       1.031400      0.1152000    
 C   -4.338800      0.6408000     -0.2552000    
 C    2.692800      -1.078800      0.4775000    
 C    2.251400       1.195700     -0.2076000    
 C    3.145700      0.1405000     -2.6600000E-02
 C   -5.665200      0.3460000      0.3926000    
 H   -1.804700      0.9671000     -0.5473000    
 H   -1.167100      -1.378900       1.339600    
 H  -0.7728000     -0.8960000      -1.836600    
 H   -2.496200     -0.7297000      -2.201400    
 H   -3.553300     -0.8506000      0.9519000    
 H    1.004500      -2.197300       1.190800    
 H   0.2260000       1.868100     -2.0400001E-02
 H   -2.210900      0.4187000       2.276600    
 H    3.360500      -1.922700      0.6313000    
 H    2.569000       2.160400     -0.5952000    
 H   -1.864200      -2.875700      -1.877000    
 H   -6.383600       1.128300      0.1323000    
 H   -6.037800     -0.6184000      3.6699999E-02
 H   -5.559900      0.3173000       1.481000    


%chk=000004335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004335

0 1
O -1.385278 0.933704 1.856693
O -1.939396 -2.625891 -0.410871
O -3.957661 1.768042 -0.759471
O 5.245269 -0.719357 -0.688018
O 5.028210 1.551021 -0.659798
N -3.364777 -0.279679 0.186350
N 4.554729 0.358719 -0.508777
C -1.958015 -0.226690 -0.252298
C -1.023212 -0.204084 1.010044
C 0.442170 -0.053270 0.639098
C -1.667247 -1.400072 -1.195408
C 1.250793 -1.203358 0.448099
C 1.006599 1.235676 0.463155
C -4.294790 0.704443 -0.160452
C 2.601288 -1.078784 0.070725
C 2.355468 1.379929 0.086445
C 3.133579 0.217127 -0.109532
C -5.735676 0.409698 0.242446
H -1.835753 0.728485 -0.796297
H -1.171485 -1.159314 1.555156
H -0.614173 -1.374596 -1.534614
H -2.338857 -1.338161 -2.074568
H -3.688534 -1.188269 0.530849
H 0.816392 -2.197723 0.604544
H 0.381671 2.112765 0.652431
H -2.376442 0.972996 1.900090
H 3.245158 -1.949426 -0.077751
H 2.813843 2.362465 -0.053359
H -1.882550 -3.420699 -0.995770
H -6.127182 1.258310 0.828546
H -6.355975 0.332675 -0.667759
H -5.848566 -0.516182 0.832074


