%chk=000135776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135776

0 1
 O    2.560700      0.1266000      0.1200000    
 O   -2.956700     -0.4726000      -1.880300    
 O    4.873400     -0.3061000      -1.394500    
 N   0.4893000     -0.6674000      0.7664000    
 N  -0.7287000       1.354400      0.4491000    
 N  -0.9927000      -2.200700      0.1266000    
 N   -3.092600       1.782500     -7.1199998E-02
 C   -1.540000     -0.9450000      1.4700000E-02
 C   -2.920700     -0.7148000     -0.4757000    
 C  -0.6379000      1.3000000E-02  0.4106000    
 C   -3.610300      0.4452000      0.2501000    
 C    1.735900     -0.1220000       1.250000    
 C   0.2260000      -1.998200      0.5812000    
 C   -1.852700       2.074000      9.4999999E-02
 C    3.806500      0.6946000      0.5006000    
 C    4.640500      0.9366000     -0.7426000    
 H   -3.509900      -1.621600     -0.2917000    
 H   -4.666300      0.4498000     -4.6500001E-02
 H   -3.592500      0.2978000       1.337400    
 H    1.538800      0.7938000       1.816100    
 H    2.200700     -0.8636000       1.909400    
 H   0.9551000      -2.769400      0.7900000    
 H   0.1024000       1.902100      0.6591000    
 H   -1.571400       3.125000     -8.6999997E-02
 H   -2.576400      -1.251100      -2.322200    
 H    3.639400       1.640800       1.026700    
 H    4.326100     -4.6999999E-03   1.165900    
 H    5.606300       1.380900     -0.4869000    
 H    4.120500       1.592600      -1.447700    
 H    4.005900     -0.6941000      -1.601500    


%chk=000135776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135776

0 1
O 2.429950 0.262220 0.224696
O -2.954722 -0.606281 -1.871327
O 4.568187 0.250403 -1.685051
N 0.516564 -0.961555 0.866852
N -0.405717 1.196103 0.164685
N -1.236230 -2.361336 0.521692
N -2.758688 1.895918 -0.186751
C -1.614793 -1.047777 0.165837
C -2.961822 -0.701929 -0.386542
C -0.539660 -0.177218 0.371209
C -3.514341 0.660636 0.105231
C 1.789147 -0.461223 1.335493
C 0.038869 -2.287849 0.923214
C -1.476265 2.073995 -0.138923
C 3.763417 0.799573 0.584810
C 4.360880 1.328122 -0.719903
H -3.672226 -1.496369 -0.073358
H -4.508368 0.792385 -0.357875
H -3.672546 0.584920 1.200445
H 1.648283 0.242768 2.184740
H 2.411455 -1.317073 1.663468
H 0.659683 -3.117178 1.254407
H 0.549728 1.535473 0.002807
H -1.100707 3.083468 -0.368084
H -2.560154 -1.445175 -2.223726
H 3.664390 1.603505 1.345497
H 4.393332 -0.018832 0.990469
H 5.358630 1.757615 -0.530208
H 3.703535 2.122526 -1.133191
H 3.698890 -0.211433 -1.809514


