%chk=000080637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080637

0 1
 O  -0.3617000      -1.836800      4.9300000E-02
 O   -5.016600       1.109200     -0.1359000    
 O    4.611300       1.869600     -0.9069000    
 O    5.377600      0.6112000      0.7205000    
 N    4.467600      0.9374000     -7.9400003E-02
 C   -1.531000      -1.096300      2.7999999E-03
 C   0.8180000      -1.158900      1.7999999E-02
 C   -1.646700      3.1199999E-02  0.7956000    
 C   -2.553100      -1.503400     -0.8356000    
 C    1.001100     -0.1191000     -0.8938000    
 C    1.844500      -1.504300      0.8970000    
 C   -3.866900      0.3823000     -9.0200000E-02
 C    3.236700      0.2301000     -4.6799999E-02
 C   -2.824700      0.7768000      0.7489000    
 C   -3.731000     -0.7576000     -0.8825000    
 C    2.210400      0.5752000     -0.9262000    
 C    3.053700     -0.8097000      0.8649000    
 C   -5.089100       2.263100      0.7003000    
 H  -0.8588000      0.3447000       1.474400    
 H   -2.448600      -2.390400      -1.453000    
 H   0.2279000      0.1559000      -1.606300    
 H    1.707100      -2.313200       1.609500    
 H   -2.865600       1.647800       1.393900    
 H   -4.539200      -1.069800      -1.538100    
 H    2.319400       1.376100      -1.653100    
 H    3.830700      -1.106100       1.564900    
 H   -6.070400       2.720200      0.5360000    
 H   -5.034800       1.995300       1.761000    
 H   -4.337900       3.009800      0.4216000    


%chk=000080637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080637

0 1
O -0.300628 -1.551680 0.520507
O -5.279072 0.946719 -0.325182
O 4.992775 1.679480 -1.049946
O 5.876439 -0.118233 0.046160
N 4.872920 0.563279 -0.405258
C -1.514402 -0.829271 0.289312
C 0.941574 -0.953018 0.274668
C -1.815217 0.341307 1.012452
C -2.450175 -1.397345 -0.601764
C 1.107629 0.259923 -0.444126
C 2.064418 -1.669985 0.763722
C -4.010458 0.411976 -0.068256
C 3.516119 0.037891 -0.171853
C -3.066923 0.971332 0.831761
C -3.699365 -0.776008 -0.779542
C 2.403971 0.754723 -0.668800
C 3.357540 -1.175138 0.541092
C -5.660933 2.166998 0.391608
H -1.087946 0.753487 1.719606
H -2.195260 -2.316571 -1.136918
H 0.237510 0.797213 -0.830441
H 1.896198 -2.602699 1.308854
H -3.292728 1.878634 1.398901
H -4.447305 -1.190671 -1.461280
H 2.570845 1.681271 -1.224280
H 4.243247 -1.701298 0.905734
H -6.675611 2.400318 0.038326
H -5.675731 2.002050 1.486434
H -4.979533 3.005616 0.149310


