%chk=000039585.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039585

0 1
 O    2.118500      -1.231400      -1.533500    
 O   -1.916000       4.068700     -0.1512000    
 O   -3.982700       2.994000      0.4515000    
 N   0.2627000     -0.4236000     -0.4728000    
 N   -2.104100      -3.819000     -7.3100001E-02
 C    3.844800      0.5985000     -0.3499000    
 C    4.674000       1.812300      5.7700001E-02
 C    4.103400     -0.3723000      0.7978000    
 C    5.953100       1.211800      0.6329000    
 C    5.588500     -0.1990000       1.098500    
 C    2.372800      0.9170000     -0.5446000    
 C  -0.3608000      -1.637200     -0.1922000    
 C   -1.685800      -1.429800      0.1130000    
 C    1.611800     -0.3177000     -0.8926000    
 C   0.2487000      -3.005000     -0.2402000    
 C  -0.7001000      0.5900000     -0.2679000    
 C   -1.918200     -3.6800001E-02  8.6400002E-02
 C   -2.631700      -2.538200      0.4456000    
 C  -0.7142000      -4.045600      0.3696000    
 C  -0.6409000       2.000200     -0.3656000    
 C   -3.079100      0.7328000      0.3450000    
 C   -1.800900       2.710800     -0.1030000    
 C   -2.975800       2.103300      0.2386000    
 C   -2.964800      -4.924000      0.3490000    
 C   -3.303200       4.240100      0.2010000    
 H    4.265300      0.1794000      -1.274700    
 H    4.160200       2.395700      0.8317000    
 H    4.877700       2.480200     -0.7850000    
 H    3.866600      -1.410100      0.5447000    
 H    3.514300     -9.9600002E-02   1.682400    
 H    6.345000       1.822400       1.452700    
 H    6.730800       1.158800     -0.1376000    
 H    6.178700     -0.9363000      0.5421000    
 H    5.800000     -0.3448000       2.162500    
 H    2.251000       1.643000      -1.355200    
 H    1.981100       1.348700      0.3826000    
 H   0.4442000      -3.269300      -1.286700    
 H    1.199600      -3.027200      0.3032000    
 H   -2.767500      -2.577000       1.534100    
 H   -3.606300      -2.335000     -1.3800000E-02
 H  -0.3709000      -5.041300      6.2100001E-02
 H  -0.6536000      -4.009400       1.466100    
 H   0.2627000       2.522600     -0.6519000    
 H   -4.017100      0.2609000      0.6193000    
 H   -2.617800      -5.868500     -8.4500000E-02
 H   -3.989100      -4.772200     -9.3000000E-03
 H   -2.992500      -5.034200       1.439100    
 H   -3.812500       4.759800     -0.6188000    
 H   -3.363000       4.860600       1.102400    


%chk=000039585-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039585

0 1
O 2.290723 -1.651428 -0.706169
O -1.721526 4.039811 0.119216
O -3.907512 3.076207 0.387623
N 0.268125 -0.628884 -0.177538
N -2.346598 -3.949370 -0.229350
C 3.934481 0.592357 -0.223092
C 4.678591 1.952807 -0.263341
C 4.506384 -0.065916 1.059536
C 6.128983 1.620446 0.195733
C 6.018520 0.300754 1.039550
C 2.402471 0.743485 -0.244165
C -0.480820 -1.860166 -0.109615
C -1.818715 -1.567198 0.063181
C 1.675627 -0.592892 -0.399552
C 0.062651 -3.261459 -0.153314
C -0.664531 0.455422 -0.032886
C -1.972925 -0.127907 0.116189
C -2.883999 -2.625510 0.166648
C -1.024429 -4.223452 0.383913
C -0.480831 1.864541 -0.053217
C -3.137244 0.677839 0.266634
C -1.644242 2.621849 0.097478
C -2.930626 2.054694 0.254790
C -3.325218 -5.026291 0.000501
C -3.163420 4.358625 0.294035
H 4.240766 -0.020831 -1.093239
H 4.201210 2.653272 0.452285
H 4.646446 2.428523 -1.261133
H 4.328290 -1.153876 1.087242
H 4.014265 0.381426 1.947953
H 6.569553 2.449588 0.777831
H 6.782722 1.461376 -0.681384
H 6.600197 -0.508603 0.561361
H 6.421676 0.426105 2.060420
H 2.108848 1.397554 -1.091592
H 2.063769 1.247436 0.682290
H 0.342563 -3.536783 -1.186656
H 0.982716 -3.360738 0.448886
H -3.294570 -2.642610 1.214004
H -3.735501 -2.380656 -0.499894
H -0.740668 -5.262780 0.137575
H -1.067070 -4.144574 1.502044
H 0.475288 2.366601 -0.179123
H -4.133388 0.244028 0.380927
H -2.930543 -5.979633 -0.393089
H -4.262727 -4.797628 -0.538549
H -3.579055 -5.174947 1.081842
H -3.517225 4.916473 -0.590692
H -3.294577 4.920013 1.235401


