%chk=000015558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015558

0 1
 O    2.300500      -1.341300      -2.360900    
 O   -1.426800       2.253200     -0.6552000    
 O   -1.826600      -2.190000       1.087700    
 O   -2.900500      0.3323000      0.6902000    
 O   -5.124000      0.3991000      0.3504000    
 O   -3.778400     -0.3882000      -1.347500    
 N    3.330200     -0.6471000     -0.3805000    
 N    5.612300      0.5603000      0.8596000    
 C    3.253000     -0.1714000       1.005300    
 C    4.680300     -0.9595000     -0.8436000    
 C    4.254100      0.9582000       1.256800    
 C    5.644200      0.1923000     -0.5635000    
 C    2.240000     -0.8805000      -1.222000    
 C    6.563700       1.636700       1.133100    
 C   0.8962000     -0.5627000     -0.7208000    
 C   0.1620000      -1.534000     -4.5400001E-02
 C   0.3631000      0.7071000     -0.9253000    
 C  -0.9137000       1.007800     -0.4508000    
 C   -1.114900      -1.233200      0.4289000    
 C   -1.652700      3.7700001E-02  0.2263000    
 C   -1.170000       3.232900      0.3490000    
 C   -1.665600      -2.258000       2.503100    
 C   -3.931800      6.7699999E-02 -0.2213000    
 C   -6.280900      0.1830000     -0.4641000    
 C   -7.513800      0.5976000      0.3105000    
 H    2.247900      0.1710000       1.261100    
 H    3.477400      -1.030500       1.649600    
 H    5.001100      -1.866300     -0.3162000    
 H    4.678100      -1.188400      -1.914300    
 H    4.233400       1.205900       2.324800    
 H    3.938300       1.853500      0.7045000    
 H    5.379900       1.053800      -1.191300    
 H    6.654800     -0.1252000     -0.8466000    
 H    6.331400       2.548700      0.5713000    
 H    7.582000       1.323900      0.8768000    
 H    6.570100       1.881600       2.201000    
 H   0.5787000      -2.525700      0.1132000    
 H   0.9370000       1.465100      -1.453000    
 H  -9.3699999E-02   3.404600      0.4506000    
 H   -1.593100       2.920700       1.308900    
 H   -1.646500       4.168700      4.4500001E-02
 H  -0.6250000      -2.480200       2.760400    
 H   -1.976400      -1.319000       2.971900    
 H   -2.299600      -3.064400       2.881700    
 H   -6.348900     -0.8785000     -0.7275000    
 H   -6.200100      0.7806000      -1.378900    
 H   -7.452100       1.652700      0.5970000    
 H   -7.598400      2.1000000E-02   1.237600    
 H   -8.418900      0.4453000     -0.2841000    


%chk=000015558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015558

0 1
O 2.560643 -2.373625 -1.415536
O -0.882483 2.168760 0.145901
O -2.134282 -2.575740 0.772465
O -2.886261 0.187562 0.812196
O -5.000154 0.537480 0.222279
O -3.482655 -0.066511 -1.469698
N 3.588624 -0.774745 -0.069238
N 5.777789 1.040718 0.330360
C 3.662884 0.050349 1.154790
C 4.921046 -1.088273 -0.631271
C 4.434180 1.353562 0.869908
C 5.685589 0.221333 -0.903347
C 2.463159 -1.428504 -0.567124
C 6.609347 2.245633 0.148215
C 1.098971 -0.963699 -0.108562
C 0.130452 -1.947832 0.197887
C 0.746368 0.407455 -0.082774
C -0.571727 0.801166 0.236595
C -1.183291 -1.567411 0.538300
C -1.537625 -0.192830 0.532374
C -1.504022 2.799769 1.333191
C -2.792613 -2.559912 2.099679
C -3.770308 0.188433 -0.290210
C -6.103059 0.608427 -0.793795
C -7.364706 0.997272 -0.033753
H 2.653014 0.267686 1.531175
H 4.211960 -0.519287 1.933146
H 5.493510 -1.704314 0.091200
H 4.773760 -1.673427 -1.552862
H 4.554675 1.922314 1.811025
H 3.836738 1.985834 0.160922
H 5.173325 0.775582 -1.731305
H 6.710185 -0.021239 -1.241476
H 6.194862 2.962017 -0.605463
H 7.621576 1.951092 -0.181927
H 6.706564 2.779940 1.110385
H 0.382306 -3.010224 0.145397
H 1.463607 1.189222 -0.349690
H -0.809947 2.754351 2.194462
H -2.460570 2.317105 1.594678
H -1.669654 3.847485 1.040970
H -2.044063 -2.736009 2.895757
H -3.319401 -1.606255 2.277384
H -3.510924 -3.392735 2.070946
H -6.184951 -0.379815 -1.280489
H -5.818199 1.353636 -1.557969
H -7.243155 1.976538 0.459375
H -7.609457 0.245773 0.735723
H -8.214328 1.064791 -0.737197


