%chk=000042569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042569

0 1
 O   0.4740000      -2.237700      9.8899998E-02
 O    1.396200       2.311200      3.2499999E-02
 O   -3.619800       1.954000      0.7875000    
 N   0.9375000      3.6300000E-02  6.5399997E-02
 N   -4.090300     -8.2900003E-02 -0.2200000    
 N   -5.465800      0.1381000     -0.1944000    
 C    2.194500      -3.901200     -1.1800000E-02
 C    3.627500       3.173100     -7.5000003E-02
 C    3.696600      -4.162200     -7.9999998E-02
 C    5.110900       2.828400     -0.1718000    
 C    1.883700      -2.411500      2.0700000E-02
 C    2.760700       1.922300     -4.2500000E-02
 C   1.2000000E-02 -0.9477000      0.1202000    
 C   0.4681000       1.304000      8.8100001E-02
 C   -1.797800      0.5924000      0.2166000    
 C    4.004500      -5.650900     -6.8700001E-02
 C   -1.353500     -0.7250000      0.1958000    
 C  -0.8760000       1.632100      0.1621000    
 C    5.970000       4.080500     -0.2475000    
 C   -3.220300      0.8829000      0.2958000    
 C   -6.122500     -0.9084000      0.5865000    
 C   -5.990200      0.1722000      -1.558300    
 H    1.689400      -4.360800     -0.8706000    
 H    1.766300      -4.379200      0.8783000    
 H    3.327200       3.799000     -0.9248000    
 H    3.434500       3.774300      0.8223000    
 H    4.111400      -3.714500     -0.9905000    
 H    4.196700      -3.687100      0.7721000    
 H    5.413000       2.235300      0.6992000    
 H    5.294100       2.214800      -1.061600    
 H    2.364100      -1.956800      0.8961000    
 H    2.269900      -1.940400     -0.8919000    
 H    2.931700       1.335600     -0.9538000    
 H    3.028400       1.318500      0.8338000    
 H   -2.024800      -1.574200      0.2625000    
 H   -1.186900       2.672000      0.1723000    
 H    3.632300      -6.121700      0.8468000    
 H    5.085400      -5.814800     -0.1197000    
 H    3.543800      -6.153100     -0.9254000    
 H    5.715500       4.678400      -1.128400    
 H    7.028500       3.810300     -0.3148000    
 H    5.834200       4.703700      0.6422000    
 H   -3.766100     -0.9330000     -0.6709000    
 H   -5.744200     -0.9129000       1.615300    
 H   -5.964900      -1.906300      0.1602000    
 H   -7.200900     -0.7243000      0.6469000    
 H   -5.512300      0.9743000      -2.132600    
 H   -7.065000      0.3850000      -1.552200    
 H   -5.827600     -0.7727000      -2.090400    


%chk=000042569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042569

0 1
O 0.534938 -2.355521 0.145758
O 1.393947 2.296740 -0.073424
O -3.651334 1.952443 0.797762
N 0.981409 -0.032828 0.017779
N -4.122347 -0.148794 -0.127947
N -5.532606 0.013116 -0.064918
C 2.238670 -4.077722 0.127031
C 3.596598 3.294233 -0.195890
C 3.743024 -4.425462 0.032933
C 5.126049 3.078469 -0.280618
C 2.004669 -2.568067 0.060886
C 2.841508 1.965341 -0.152386
C 0.081673 -1.043180 0.125129
C 0.502202 1.239959 0.020910
C -1.790893 0.491330 0.211199
C 4.002964 -5.945395 0.104798
C -1.315643 -0.844368 0.225526
C -0.871792 1.559764 0.116764
C 5.908402 4.408890 -0.308380
C -3.259436 0.841499 0.338013
C -6.197502 -1.280156 0.169849
C -6.063007 0.801832 -1.203133
H 1.687002 -4.568975 -0.697610
H 1.819896 -4.470440 1.073627
H 3.250302 3.882969 -1.067086
H 3.348850 3.882481 0.708444
H 4.156206 -4.024525 -0.915126
H 4.291620 -3.917945 0.852446
H 5.461822 2.471084 0.584723
H 5.366716 2.488830 -1.188746
H 2.492708 -2.033937 0.898020
H 2.375224 -2.130399 -0.885588
H 3.020500 1.354578 -1.057871
H 3.119460 1.358316 0.730111
H -1.967652 -1.709709 0.363419
H -1.214500 2.595482 0.136357
H 3.631077 -6.366718 1.057521
H 5.082074 -6.173133 0.032633
H 3.489233 -6.474991 -0.719325
H 5.614736 5.023609 -1.179840
H 6.998159 4.234517 -0.368767
H 5.710200 5.003464 0.602983
H -3.738276 -0.909790 -0.709019
H -5.808927 -1.727531 1.099259
H -6.062968 -2.013088 -0.666690
H -7.278937 -1.100865 0.293675
H -5.549984 1.776461 -1.221482
H -7.138303 0.981663 -1.033003
H -5.934032 0.295868 -2.190209


