%chk=000056559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056559

0 1
 O   -3.481800     -0.7310000      0.5915000    
 O    3.059400      0.7350000       1.438600    
 O    2.209000      -3.187400      0.2756000    
 N    1.980000     -0.9001000     -0.3550000    
 N    3.814800       2.298000     -0.1002000    
 C   0.5365000     -0.8552000     -0.1054000    
 C   -5.581900      0.2552000     -1.9099999E-02
 C    2.607800      0.2823000     -0.8716000    
 C   -4.138800      0.5189000      0.3863000    
 C   -6.342700       1.553900     -0.2713000    
 C   -2.141600     -0.7721000      0.3580000    
 C   9.7000003E-03  0.3265000      0.3171000    
 C  -0.1715000      -1.998500     -0.3143000    
 C    3.173900       1.110100      0.2687000    
 C   -1.364100      0.3690000      0.5549000    
 C   -1.545400      -1.955900     -7.6499999E-02
 C    2.675900      -2.132500     -0.1614000    
 C   -7.770900       1.285200     -0.7177000    
 C    4.125900      -2.125100     -0.5882000    
 C    3.937300       2.719800      -1.490200    
 C    4.408700       3.203700      0.8801000    
 H   -5.595800     -0.3732000     -0.9186000    
 H   -6.079400     -0.3314000      0.7633000    
 H    1.889000      0.8700000      -1.453000    
 H    3.417400      1.7800000E-02  -1.555500    
 H   -3.663000       1.096200     -0.4172000    
 H   -4.108300       1.095600       1.318000    
 H   -5.832300       2.142100      -1.042900    
 H   -6.357600       2.159800      0.6420000    
 H   0.5789000       1.229200      0.4965000    
 H   0.2279000      -2.915400     -0.7276000    
 H   -1.784000       1.301400      0.9209000    
 H   -2.149600      -2.842600     -0.2484000    
 H   -8.297800       2.228800     -0.8911000    
 H   -8.321000      0.7240000      4.4300001E-02
 H   -7.789500      0.7099000      -1.648900    
 H    4.675100      -1.315400     -0.1021000    
 H    4.197400      -2.042600      -1.675800    
 H    4.594800      -3.067800     -0.2879000    
 H    4.493200       1.963200      -2.050600    
 H    4.466900       3.674500      -1.560300    
 H    2.940000       2.834600      -1.923400    
 H    3.921800       4.179800      0.7993000    
 H    5.477500       3.300900      0.6689000    
 H    4.277900       2.821700       1.895600    


%chk=000056559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056559

0 1
O -3.580641 -0.653480 -0.536387
O 3.092847 0.991878 1.433359
O 2.076335 -3.067491 0.738398
N 2.090193 -0.984467 -0.322576
N 4.005595 2.292112 -0.269424
C 0.643492 -0.891852 -0.333722
C -5.790553 0.287414 -0.257071
C 2.845400 0.149312 -0.871480
C -4.296074 0.538507 -0.045884
C -6.653268 1.482392 0.211593
C -2.180043 -0.662283 -0.435509
C 0.003301 0.273273 0.143833
C -0.142978 -1.954927 -0.848749
C 3.318551 1.176306 0.198484
C -1.402967 0.401312 0.085285
C -1.542178 -1.842588 -0.894714
C 2.730415 -2.090483 0.272479
C -8.162789 1.234419 0.003564
C 4.257688 -2.060166 0.319288
C 4.286863 2.593377 -1.681854
C 4.477897 3.298056 0.699855
H -5.973181 0.088471 -1.330556
H -6.082032 -0.627636 0.293194
H 2.196766 0.657529 -1.607148
H 3.728831 -0.223254 -1.422944
H -3.959945 1.433573 -0.611809
H -4.067127 0.694267 1.029633
H -6.349927 2.396565 -0.338828
H -6.456521 1.683027 1.284576
H 0.600344 1.067039 0.604008
H 0.344934 -2.869820 -1.192895
H -1.871228 1.313219 0.466719
H -2.162128 -2.656350 -1.282801
H -8.763721 2.098408 0.341144
H -8.499417 0.345683 0.569377
H -8.391596 1.058320 -1.064216
H 4.623268 -1.177006 0.871481
H 4.707793 -2.059205 -0.691670
H 4.585040 -2.969895 0.843187
H 3.970554 1.776823 -2.345207
H 5.372783 2.751762 -1.829149
H 3.761218 3.516625 -1.996793
H 4.014643 4.282532 0.495639
H 5.577963 3.405490 0.642345
H 4.195301 2.964113 1.709345


