%chk=000117517.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117517

0 1
 O    2.461900     -0.7371000     -0.3662000    
 O   -2.430000     -0.7684000     -0.3561000    
 O    3.754400      -1.788200       1.222800    
 O   -3.705100      -1.847300       1.228300    
 N    4.709200     -0.6573000     -0.5369000    
 N   -4.679700     -0.7140000     -0.5189000    
 C   1.4100000E-02 -0.6641000     -0.4261000    
 C   2.3700001E-02  0.8902000     -0.5409000    
 C  -3.0700000E-02   1.654600      0.7904000    
 C    1.281900      -1.159300      0.3086000    
 C   -1.243600      -1.181500      0.3106000    
 C  -8.0300003E-02   3.185800      0.6110000    
 C   1.0700000E-02  -1.232100      -1.865400    
 C   -1.306800       3.570500     -0.2207000    
 C    1.182900       3.740200     -4.9300000E-02
 C    3.647000      -1.121100      0.1992000    
 C   -3.609500      -1.170800      0.2097000    
 H   0.9152000       1.197500      -1.100300    
 H  -0.8332000       1.177600      -1.160500    
 H   0.8432000       1.405900       1.402500    
 H  -0.9150000       1.351900       1.361500    
 H    1.275200      -2.256600      0.3464000    
 H    1.298800     -0.7924000       1.341500    
 H   -1.222900      -2.279000      0.3381000    
 H   -1.260500     -0.8270000       1.347600    
 H  -0.1768000       3.636400       1.606700    
 H   0.8885000     -0.9006000      -2.431400    
 H  -0.8746000     -0.9107000      -2.425200    
 H   1.7600000E-02  -2.327900      -1.854600    
 H   -1.197300       3.312500      -1.278600    
 H   -2.213800       3.092700      0.1646000    
 H   -1.462600       4.654400     -0.1737000    
 H    1.284100       3.417900      -1.090200    
 H    1.163000       4.835600     -4.6700001E-02
 H    2.077300       3.422300      0.4964000    
 H    4.568900     -0.1081000      -1.378200    
 H    5.666600     -0.8492000     -0.2621000    
 H   -4.549000     -0.1563000      -1.356200    
 H   -5.633800     -0.9196000     -0.2424000    


%chk=000117517-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117517

0 1
O 2.451111 -0.693516 -0.362591
O -2.441205 -0.774184 -0.391565
O 3.767866 -1.759260 1.279029
O -3.741374 -1.878805 1.237504
N 4.714354 -0.515735 -0.476098
N -4.707639 -0.681637 -0.538910
C 0.005162 -0.711689 -0.474771
C -0.016365 0.846213 -0.589218
C -0.025624 1.632386 0.742211
C 1.237991 -1.208311 0.317265
C -1.219969 -1.242668 0.306925
C -0.041581 3.182565 0.584924
C 0.020017 -1.323543 -1.900325
C -1.319195 3.690707 -0.127246
C 1.233258 3.718006 -0.112043
C 3.669371 -1.055405 0.243981
C -3.653945 -1.177580 0.199673
H 0.869163 1.138997 -1.182968
H -0.910591 1.114758 -1.181374
H 0.867242 1.362466 1.342311
H -0.913472 1.343884 1.341183
H 1.285607 -2.313751 0.336346
H 1.239586 -0.848502 1.362542
H -1.231032 -2.348939 0.334892
H -1.246042 -0.874456 1.348927
H -0.052161 3.596711 1.616027
H 0.917303 -0.992619 -2.450843
H -0.876689 -1.010715 -2.462179
H 0.030778 -2.429568 -1.860077
H -1.338124 3.383472 -1.189427
H -2.231371 3.294868 0.357935
H -1.370344 4.795355 -0.100317
H 1.276512 3.402559 -1.171083
H 1.255587 4.823768 -0.093655
H 2.147646 3.349621 0.390282
H 4.536755 0.044794 -1.305680
H 5.663657 -0.691249 -0.160329
H -4.538992 -0.120640 -1.370037
H -5.654250 -0.890958 -0.235919


