%chk=000025816.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025816

0 1
 O   -1.931900     -0.2989000     -0.5281000    
 O   0.3645000      -3.646700     -0.3071000    
 O   -1.615200      -2.732100     -0.5593000    
 O    4.077300       1.277200      0.3759000    
 O    4.259500     -0.9101000      0.3334000    
 O   -2.213600     -0.3686000       1.784200    
 N  -0.3778000      -2.639000     -0.3808000    
 N    3.568600      0.1353000      0.2677000    
 N   -4.030300     -0.4800000      0.3793000    
 C  -0.8233000       2.301600     -0.2885000    
 C   2.7799999E-02   1.023500     -0.2076000    
 C   2.5200000E-02   3.455000     -0.8663000    
 C   -1.313300       2.689700       1.123500    
 C   -2.075400       2.163300      -1.183800    
 C  -0.5846000     -0.1986000     -0.3332000    
 C    1.379500       1.170900     -1.0900000E-02
 C   0.2035000      -1.346900     -0.2573000    
 C    2.167600      2.2500001E-02  6.4999998E-02
 C    1.579600      -1.236400     -5.8200002E-02
 C   -2.687600     -0.3816000      0.6523000    
 H  -0.6022000       4.327900      -1.087700    
 H   0.7791000       3.827800     -0.1644000    
 H   0.5181000       3.172400      -1.804200    
 H  -0.4783000       2.752100       1.831300    
 H   -1.795900       3.674700       1.103900    
 H   -2.042800       1.996500       1.539300    
 H   -2.421300       3.157100      -1.500300    
 H   -1.869800       1.614900      -2.110400    
 H   -2.950700       1.750300     -0.6818000    
 H    1.847800       2.136900      0.1224000    
 H    2.196900      -2.129800      1.5000000E-03
 H   -4.376000     -0.4871000     -0.5744000    
 H   -4.717000     -0.5477000       1.122700    


%chk=000025816-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025816

0 1
O -2.066613 -0.082804 -0.076268
O 0.194790 -3.628103 0.393123
O -1.733453 -2.774827 -0.459145
O 4.172853 1.180259 -0.269582
O 4.256870 -1.089395 -0.047993
O -2.203253 -1.164275 2.042268
N -0.527675 -2.644566 -0.014473
N 3.612811 0.022496 -0.153701
N -4.071496 -0.896443 0.631985
C -0.792227 2.515152 -0.346118
C -0.009413 1.181368 -0.235428
C 0.167331 3.726951 -0.494158
C -1.645064 2.748957 0.939165
C -1.710125 2.484824 -1.607352
C -0.669269 -0.084672 -0.100465
C 1.401504 1.171793 -0.261705
C 0.092526 -1.291647 -0.025410
C 2.129164 -0.029749 -0.143028
C 1.498433 -1.272862 -0.024443
C -2.759659 -0.804823 0.990794
H -0.436264 4.647346 -0.583654
H 0.826523 3.848428 0.385158
H 0.795487 3.656157 -1.401254
H -1.009809 2.743240 1.843449
H -2.136220 3.737242 0.873771
H -2.430582 1.987979 1.061475
H -2.261760 3.440025 -1.681957
H -1.109065 2.366019 -2.527731
H -2.442703 1.664280 -1.560538
H 1.967738 2.098880 -0.357482
H 2.069266 -2.200708 0.055045
H -4.365996 -0.644807 -0.309048
H -4.716646 -1.365612 1.262799


