%chk=000166450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166450

0 1
 O   -2.254900      -1.359700      0.5550000    
 N  -0.8940000      -1.672800      0.5411000    
 C    1.241800     -0.5486000     -0.1209000    
 C  -0.8800000      0.6569000     -0.2911000    
 C    1.252800      0.2024000      -1.468900    
 C  -8.6099997E-02  0.9612000      -1.576400    
 C  -0.2480000     -0.6595000      7.4100003E-02
 C    1.729300      0.3490000       1.038700    
 C  -0.5014000       1.614800      0.8601000    
 C    1.017300       1.712900       1.092100    
 C    2.004500      -1.861700     -0.1824000    
 C   -2.381300      0.6051000     -0.5213000    
 H    1.326400     -0.4995000      -2.309500    
 H    2.106700      0.8840000      -1.553000    
 H   7.2800003E-02   2.035900      -1.718600    
 H  -0.6232000      0.6013000      -2.463400    
 H    2.810400      0.5169000      0.9608000    
 H    1.557300     -0.1668000       1.993100    
 H  -0.9693000       1.267500       1.791100    
 H  -0.8961000       2.619100      0.6638000    
 H    1.212000       2.192600       2.058400    
 H    1.453900       2.375500      0.3347000    
 H    1.951300      -2.394000      0.7738000    
 H    1.586500      -2.528700     -0.9446000    
 H    3.060400      -1.693700     -0.4192000    
 H   -2.702500     -0.1758000      -1.222100    
 H   -2.985400      0.6323000      0.3941000    
 H   -2.667200       1.539900      -1.026900    
 H   -2.639400      -2.175400      0.9181000    


%chk=000166450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166450

0 1
O -2.269423 -1.710182 0.796226
N -0.804455 -1.777758 0.558518
C 1.200910 -0.556936 -0.139311
C -0.904397 0.691634 -0.325025
C 1.279837 0.225935 -1.491075
C -0.058378 1.031544 -1.604751
C -0.317723 -0.670122 0.063782
C 1.703471 0.346540 1.043764
C -0.506143 1.651117 0.855164
C 1.028388 1.740032 1.049172
C 1.962821 -1.891735 -0.156959
C -2.416980 0.780773 -0.605306
H 1.370251 -0.492183 -2.326649
H 2.173230 0.876570 -1.521001
H 0.104492 2.122172 -1.686059
H -0.621973 0.719056 -2.503041
H 2.803634 0.457445 0.967752
H 1.491720 -0.184292 1.993274
H -0.990653 1.281303 1.780521
H -0.923245 2.656889 0.647466
H 1.257873 2.267065 1.995533
H 1.462113 2.357588 0.238736
H 1.872173 -2.415351 0.810764
H 1.564896 -2.564657 -0.937124
H 3.035856 -1.715923 -0.361143
H -2.736281 0.017342 -1.335768
H -3.012208 0.631625 0.309395
H -2.648074 1.780113 -1.022728
H -2.447133 -2.624504 1.136570


