%chk=000158020.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158020

0 1
 O   -1.797700     -0.8570000       1.794000    
 O    3.450000      -1.114700      -2.077400    
 N  -0.1167000       2.350900     -0.4051000    
 C   -1.339500      0.2336000     -0.3269000    
 C   -1.534000      -1.102100      0.4135000    
 C   -2.645300       1.043400     -0.3671000    
 C  -0.2203000       1.068800      0.2978000    
 C   -2.690100      -1.905800     -0.1875000    
 C   -3.791900      0.2304000     -0.9643000    
 C   -3.985900      -1.096500     -0.2370000    
 C    1.102500      0.3281000      0.3006000    
 C    1.664100     -5.0900001E-02 -0.9046000    
 C    1.714500      4.9600001E-02   1.508800    
 C   0.8632000       3.209900      0.2385000    
 C    2.881000     -0.7325000     -0.9016000    
 C    2.931300     -0.6321000       1.511800    
 C    3.514600      -1.023200      0.3065000    
 H   -1.086300     -7.7999998E-03  -1.369600    
 H  -0.6311000      -1.718800      0.3625000    
 H   -2.531500       1.943200     -0.9828000    
 H   -2.924000       1.387400      0.6365000    
 H  -0.5103000       1.292200       1.334200    
 H   -2.865600      -2.807800      0.4105000    
 H   -2.423900      -2.228300      -1.201400    
 H   -3.587400      3.7300002E-02  -2.024800    
 H   -4.719100      0.8130000     -0.9208000    
 H   -4.358000     -0.9119000      0.7774000    
 H   -4.759000      -1.681600     -0.7486000    
 H   0.1244000       2.212600      -1.385400    
 H   -2.604800     -0.3256000       1.879000    
 H    1.185000      0.1710000      -1.853700    
 H    1.270100      0.3485000       2.453400    
 H   0.8124000       4.203800     -0.2186000    
 H    1.891500       2.857400      0.1121000    
 H   0.6529000       3.341800       1.305300    
 H    3.424600     -0.8585000       2.452600    
 H    4.462800      -1.553800      0.3226000    
 H    4.286600      -1.573400      -1.888100    


%chk=000158020-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158020

0 1
O -1.748225 -0.806644 1.920038
O 3.757145 -0.798171 -2.089764
N -0.098592 2.386161 -0.505396
C -1.374947 0.257552 -0.320443
C -1.557706 -1.069912 0.470376
C -2.705514 1.054353 -0.350563
C -0.192836 1.109030 0.242193
C -2.721643 -1.911566 -0.100863
C -3.860029 0.212165 -0.942847
C -4.047895 -1.114989 -0.169317
C 1.121198 0.300263 0.278511
C 1.870020 0.096063 -0.904269
C 1.599385 -0.244710 1.498295
C 0.846101 3.378271 0.046271
C 3.073422 -0.640465 -0.866992
C 2.805325 -0.978892 1.529155
C 3.554911 -1.182689 0.349074
H -1.123681 -0.031259 -1.366685
H -0.624191 -1.656219 0.449894
H -2.555933 1.987431 -0.919654
H -2.965749 1.375658 0.682066
H -0.452052 1.364141 1.289008
H -2.841482 -2.820077 0.518681
H -2.445039 -2.243779 -1.122321
H -3.633386 -0.017523 -2.005087
H -4.799996 0.797392 -0.936927
H -4.413428 -0.894789 0.857117
H -4.832660 -1.735250 -0.642612
H 0.054811 2.226880 -1.511229
H -2.622642 -0.356385 2.041784
H 1.545132 0.506877 -1.867520
H 1.008682 -0.109409 2.411016
H 0.815769 4.294579 -0.570321
H 1.903290 3.029929 0.103844
H 0.527254 3.652128 1.069033
H 3.167415 -1.396587 2.475265
H 4.494649 -1.750182 0.375396
H 4.582217 -1.328776 -1.961908


