%chk=000005677.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005677

0 1
 O   -2.129400       1.990700      -1.409200    
 O   -3.895200      0.2525000      8.1799999E-02
 O  -0.2182000      -2.680500      0.9865000    
 O   -2.931400      -2.464700      0.1888000    
 O  -0.8179000       2.941400      0.7755000    
 O    4.414500      -1.297300     -0.2430000    
 O    3.571000       1.791100       1.012000    
 N    1.599700     -0.9215000     -0.5152000    
 C   -1.670500       1.057600     -0.4217000    
 C   0.2912000     -0.5218000      1.2400000E-02
 C  -0.2610000      0.6190000     -0.8474000    
 C   -2.621900     -0.1537000     -0.4264000    
 C  -0.6656000      -1.722400      2.3399999E-02
 C   -2.094700      -1.323900      0.4102000    
 C   -1.643600       1.803700      0.9194000    
 C    2.530500      0.1935000     -0.4715000    
 C    3.874000     -0.2554000      -1.046400    
 C    2.668300      0.6916000      0.9705000    
 H   0.3724000     -0.2233000       1.059700    
 H   0.3718000       1.510700     -0.8354000    
 H  -0.2949000      0.3081000      -1.902400    
 H   -2.803700     -0.4894000      -1.455600    
 H  -0.6729000      -2.229400     -0.9498000    
 H   -2.171200      -1.095200       1.480000    
 H   -1.267400       1.187100       1.740000    
 H   -2.641500       2.167900       1.184900    
 H    1.501600      -1.255400      -1.473700    
 H    2.237000       1.021000      -1.124500    
 H   -1.532000       2.758200      -1.397700    
 H   -4.209800      0.9850000     -0.4753000    
 H  -0.2021000      -2.248800       1.857700    
 H   -2.579000      -3.192700      0.7290000    
 H    4.596200      0.5671000      -1.062900    
 H    3.771600     -0.6251000      -2.072900    
 H    1.740800       1.095700       1.379400    
 H    3.039300     -8.8600002E-02   1.644200    
 H  -0.8126000       3.403900       1.630800    
 H    3.766700      -2.022600     -0.2331000    
 H    3.644700       2.067000       1.941700    


%chk=000005677-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005677

0 1
O -2.642053 1.781809 -1.627202
O -4.058698 0.145045 0.223786
O -0.034187 -2.400400 1.128127
O -2.843827 -2.434088 0.644323
O -1.398911 3.306864 0.166372
O 4.304919 -1.655353 -0.701573
O 3.952815 1.334226 1.556586
N 1.591345 -0.689757 -0.493784
C -1.904926 1.077186 -0.556832
C 0.232806 -0.249320 -0.057597
C -0.472018 0.727626 -1.032231
C -2.749265 -0.209030 -0.318523
C -0.637912 -1.505850 0.135259
C -2.062306 -1.197294 0.631788
C -1.886296 2.005259 0.679181
C 2.741027 0.214580 -0.177727
C 3.955330 -0.260040 -1.003647
C 3.074889 0.174757 1.325126
H 0.354969 0.231414 0.930765
H 0.112317 1.660108 -1.141113
H -0.553634 0.260532 -2.034735
H -2.863020 -0.697391 -1.310793
H -0.723642 -2.036200 -0.841744
H -2.000016 -0.772094 1.657527
H -1.207634 1.627318 1.467897
H -2.912838 2.086383 1.082358
H 1.570617 -0.883520 -1.509317
H 2.534172 1.276635 -0.440886
H -2.353282 2.734364 -1.573720
H -4.493825 0.716823 -0.461667
H 0.932979 -2.440150 0.890147
H -2.313297 -3.098813 1.157290
H 4.839346 0.339602 -0.738727
H 3.745284 -0.136973 -2.089720
H 2.156357 0.256025 1.940255
H 3.586947 -0.780711 1.559086
H -1.576653 4.019526 0.826483
H 3.453473 -2.166508 -0.658354
H 4.403443 1.238510 2.431337


