%chk=000054482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054482

0 1
 O  -0.9424000      0.1652000     -2.3499999E-02
 O  -2.1800000E-02  -1.882600     -0.4586000    
 O    3.535900       2.509100     -0.4747000    
 N   -4.609300      0.2287000     -0.3178000    
 N    1.290600     -2.8000001E-02  0.1055000    
 C   -5.002500     -0.8114000      0.6324000    
 C   -5.627900       1.269700     -0.1843000    
 C   -6.509900     -0.8946000      0.4429000    
 C   -6.920500      0.4718000     -9.7099997E-02
 C   -3.266100      0.7305000     -6.8200000E-02
 C   -2.237000     -0.3721000     -0.2600000    
 C   0.1143000     -0.7038000     -0.1551000    
 C    2.609300     -0.5362000      8.3999999E-02
 C    3.682800      0.2923000      0.3740000    
 C    3.492900       1.734600      0.7163000    
 C    2.799600      -1.873300     -0.2322000    
 C    4.976700     -0.2281000      0.3474000    
 C    4.093500      -2.393700     -0.2586000    
 C    5.182000      -1.571200      3.1199999E-02
 C    3.359700       3.893000     -0.2035000    
 H   -4.774300     -0.5281000       1.668000    
 H   -4.541800      -1.781300      0.4214000    
 H   -5.633700       1.954500      -1.038200    
 H   -5.492200       1.856200      0.7336000    
 H   -6.770100      -1.673300     -0.2838000    
 H   -7.020000      -1.128600       1.382700    
 H   -7.652100      0.9619000      0.5532000    
 H   -7.375000      0.3573000      -1.088300    
 H   -3.166900       1.158900      0.9382000    
 H   -3.036000       1.546100     -0.7659000    
 H   -2.286100     -0.7641000      -1.283300    
 H   -2.395000      -1.193200      0.4474000    
 H    1.174100      0.9569000      0.3177000    
 H    4.307800       2.058400       1.378000    
 H    2.571100       1.919700       1.278200    
 H    2.014100      -2.575500     -0.4683000    
 H    5.835200      0.4009000      0.5683000    
 H    4.255000      -3.439300     -0.5050000    
 H    6.189400      -1.976400      9.8999999E-03
 H    2.382100       4.072200      0.2546000    
 H    4.156400       4.260900      0.4503000    
 H    3.406000       4.437700      -1.150300    


%chk=000054482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054482

0 1
O -0.784240 0.108159 -0.106997
O 0.097506 -2.075211 -0.099880
O 2.617435 2.322428 -0.191838
N -4.510862 0.252803 -0.261176
N 1.459897 -0.128581 -0.030448
C -5.080422 -0.575540 0.835262
C -5.479706 1.366544 -0.440091
C -6.600742 -0.607216 0.524449
C -6.860715 0.671196 -0.345244
C -3.117998 0.696930 -0.067996
C -2.144246 -0.478638 -0.202095
C 0.271056 -0.829299 -0.081550
C 2.774032 -0.663840 -0.032347
C 3.847935 0.238578 0.251248
C 3.586215 1.656218 0.714936
C 3.050737 -2.024629 -0.325545
C 5.176241 -0.238265 0.186812
C 4.386286 -2.477727 -0.358589
C 5.457877 -1.589585 -0.114347
C 2.330576 3.698661 0.220486
H -4.895399 -0.103462 1.835825
H -4.630224 -1.583379 0.850342
H -5.312521 1.873308 -1.407345
H -5.378106 2.133186 0.371920
H -6.859230 -1.516265 -0.044394
H -7.196893 -0.612519 1.453541
H -7.617850 1.338545 0.102023
H -7.215658 0.383559 -1.349342
H -2.963376 1.195435 0.923525
H -2.875209 1.439087 -0.850794
H -2.265334 -0.979574 -1.178806
H -2.265281 -1.231373 0.597255
H 1.412829 0.903182 -0.098981
H 4.531646 2.234972 0.734155
H 3.152236 1.660555 1.741805
H 2.219622 -2.706996 -0.515597
H 6.000191 0.457788 0.387503
H 4.586885 -3.530455 -0.587114
H 6.493906 -1.941450 -0.154766
H 1.910589 3.735395 1.247746
H 3.247472 4.321240 0.180477
H 1.590743 4.087934 -0.495532


