%chk=000044335.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044335

0 1
 O   -4.612800      -1.044600     -0.8326000    
 N   -1.552900      0.5050000      0.5310000    
 C   0.6300000     -2.3000001E-03   1.101300    
 C   0.6865000       1.366200      0.4165000    
 C    1.898300     -0.8452000      0.9926000    
 C    1.405800       1.339600     -0.9410000    
 C  -0.6159000     -0.6205000      0.4788000    
 C  -0.7967000       1.731600      0.2362000    
 C    2.538000     -0.8363000     -0.3993000    
 C    2.737600      0.6032000     -0.8812000    
 C   -2.701900      0.3209000     -0.3407000    
 C    3.867500      -1.589500     -0.3848000    
 C   -3.483400     -0.9282000      2.3100000E-02
 H   0.4304000      0.1509000       2.173000    
 H    1.190000       2.088400       1.070800    
 H    2.626500     -0.4527000       1.715400    
 H    1.684900      -1.876300       1.300400    
 H  -0.4306000     -0.9578000     -0.5480000    
 H  -0.9598000      -1.470500       1.076900    
 H    1.570400       2.368400      -1.283400    
 H   0.7753000      0.8607000      -1.701600    
 H   -1.087200       2.503000      0.9582000    
 H  -0.9936000       2.128900     -0.7669000    
 H    1.870500      -1.353800      -1.100100    
 H    3.193900      0.6046000      -1.878200    
 H    3.425500       1.137700     -0.2140000    
 H   -2.400900      0.2714000      -1.395900    
 H   -3.372100       1.186500     -0.2608000    
 H    3.723400      -2.624600     -5.7500001E-02
 H    4.310600      -1.613400      -1.386000    
 H    4.587100      -1.116800      0.2922000    
 H   -3.847300     -0.8804000       1.054600    
 H   -2.896900      -1.844600     -9.2000000E-02
 H   -4.284000      -1.114000      -1.745100    


%chk=000044335-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044335

0 1
O -4.820535 -0.950502 -0.892102
N -1.556383 0.438495 0.453809
C 0.672473 -0.032750 1.135874
C 0.698641 1.371118 0.452731
C 1.986305 -0.839538 1.013137
C 1.377756 1.327788 -0.942220
C -0.584337 -0.682217 0.509915
C -0.809099 1.736838 0.349723
C 2.612957 -0.835746 -0.404737
C 2.750605 0.622215 -0.905954
C -2.696945 0.275279 -0.455469
C 3.967468 -1.575780 -0.414406
C -3.653266 -0.846373 -0.001105
H 0.450799 0.115699 2.212147
H 1.243241 2.096692 1.087856
H 2.732258 -0.408214 1.713986
H 1.814100 -1.883395 1.346984
H -0.360635 -1.100481 -0.505259
H -0.965431 -1.512772 1.133168
H 1.480233 2.361579 -1.327406
H 0.718066 0.792712 -1.656372
H -1.124934 2.421067 1.162325
H -1.017322 2.249292 -0.615701
H 1.924067 -1.364423 -1.098947
H 3.213135 0.634518 -1.912920
H 3.440367 1.172794 -0.230588
H -2.368147 0.060627 -1.512764
H -3.274226 1.217651 -0.482822
H 3.860571 -2.619449 -0.062853
H 4.402802 -1.602327 -1.431117
H 4.694957 -1.070056 0.250180
H -4.068674 -0.607923 0.990353
H -3.121575 -1.819033 0.062449
H -4.503093 -1.147882 -1.809991


