%chk=000043625.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043625

0 1
 O   0.5678000       2.560500      0.3996000    
 O    5.705900      -1.483600     -0.2599000    
 O   -4.484600      -1.034500     -0.5527000    
 O   -3.049400      -2.564400      9.4499998E-02
 N    2.172700     -0.4725000     -0.1049000    
 N   -3.339100      -1.372000     -0.1674000    
 C    1.286200     -0.1363000       1.009700    
 C  -7.8800000E-02  0.2570000      0.5500000    
 C  -0.3780000       1.589200      0.2640000    
 C    3.493100     -0.8400000      0.3812000    
 C   -1.059700     -0.7244000      0.4061000    
 C   -2.339600     -0.3736000     -2.3600001E-02
 C   -1.658000       1.939700     -0.1657000    
 C   -2.638700      0.9584000     -0.3095000    
 C    4.426100      -1.147000     -0.7793000    
 C    1.374100       2.843500     -0.7422000    
 H    1.720400      0.6724000       1.611400    
 H    1.201200     -0.9935000       1.691600    
 H    1.778100      -1.249400     -0.6349000    
 H    3.436000      -1.714000       1.042300    
 H    3.927800     -2.6600000E-02  0.9760000    
 H  -0.8044000      -1.757300      0.6324000    
 H   -1.897900       2.975700     -0.3895000    
 H   -3.624700       1.268600     -0.6459000    
 H    4.544500     -0.2770000      -1.433400    
 H    4.063800      -1.986200      -1.382300    
 H   0.8923000       3.625700      -1.336700    
 H    1.535300       1.960700      -1.368500    
 H    2.343400       3.212700     -0.3964000    
 H    5.599600      -2.277400      0.2918000    


%chk=000043625-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043625

0 1
O 0.383586 2.738735 0.239365
O 5.799901 -1.512843 -0.399756
O -4.628849 -1.132152 -0.465809
O -3.059281 -2.651200 0.196437
N 2.188072 -0.420471 -0.092308
N -3.429044 -1.446556 -0.100283
C 1.256391 -0.049850 1.008565
C -0.122874 0.313391 0.482931
C -0.487285 1.651191 0.122992
C 3.519464 -0.871091 0.368978
C -1.113858 -0.687173 0.404247
C -2.422383 -0.370407 -0.019725
C -1.817856 1.957513 -0.266666
C -2.795027 0.952845 -0.345719
C 4.457336 -1.105238 -0.830858
C 1.625479 2.747668 -0.581962
H 1.693183 0.813457 1.545622
H 1.144551 -0.873416 1.753153
H 1.749976 -1.096332 -0.735173
H 3.470417 -1.801471 0.992222
H 3.955948 -0.081662 1.009403
H -0.891372 -1.719991 0.691347
H -2.054085 2.998528 -0.504605
H -3.821541 1.165781 -0.654489
H 4.607630 -0.164477 -1.382843
H 4.015541 -1.852814 -1.527249
H 1.374073 3.118995 -1.593204
H 2.074882 1.738474 -0.645617
H 2.300856 3.458016 -0.081305
H 5.741570 -2.383051 0.070111


