%chk=000026238.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026238

0 1
 O  -0.4547000      0.2143000      -1.007800    
 O    1.601800      -2.766700      0.8962000    
 O   0.2459000      -2.450300     -0.9005000    
 N    4.703400       1.120700      0.8680000    
 C   -3.945600      0.7071000      0.2913000    
 C   -2.775100      5.2299999E-02 -0.4389000    
 C   -5.205800     -0.1534000      0.2056000    
 C   -1.504700      0.8828000     -0.3228000    
 C   -6.364500      0.4790000      0.9601000    
 C   0.8180000      0.4217000     -0.5427000    
 C    1.589400     -0.6437000     -9.0999998E-02
 C    1.324700       1.717200     -0.5303000    
 C    2.882200     -0.4113000      0.3786000    
 C    3.396200      0.8854000      0.3935000    
 C    2.617500       1.949600     -6.0899999E-02
 C    1.071300      -2.004700     -9.8300003E-02
 H   -4.143400       1.695500     -0.1411000    
 H   -3.680200      0.8625000       1.344200    
 H   -3.020700     -9.3199998E-02  -1.498300    
 H   -2.588600     -0.9504000     -3.3799998E-02
 H   -5.491000     -0.2923000     -0.8437000    
 H   -5.007400      -1.147800      0.6223000    
 H   -1.253300       1.021600      0.7368000    
 H   -1.655800       1.867900     -0.7787000    
 H   -6.122900      0.5997000       2.021000    
 H   -6.609500       1.463500      0.5489000    
 H   -7.255500     -0.1521000      0.8844000    
 H   0.7330000       2.554400     -0.8896000    
 H    3.508900      -1.230300      0.7248000    
 H    3.007500       2.964200     -5.6100000E-02
 H    5.076000       2.060800      0.8793000    
 H    5.268800      0.3501000       1.198400    
 H    1.248000      -3.681600      0.8834000    


%chk=000026238-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026238

0 1
O -0.530443 -0.332730 0.134232
O 2.759128 -3.050835 -0.227415
O 0.451631 -2.879292 -0.176610
N 4.877816 1.361035 0.247234
C -4.161518 0.818893 0.244439
C -2.930709 -0.113570 0.172489
C -5.498207 0.044287 0.184766
C -1.614381 0.663006 0.244315
C -6.731731 0.970623 0.242504
C 0.789451 0.121772 0.164691
C 1.841234 -0.844863 0.040270
C 1.137700 1.489686 0.312539
C 3.192041 -0.408900 0.070651
C 3.538504 0.956122 0.219635
C 2.481960 1.901483 0.339900
C 1.557922 -2.293289 -0.123037
H -4.128084 1.548863 -0.591693
H -4.129086 1.414257 1.181356
H -2.947928 -0.696193 -0.767895
H -2.957620 -0.846671 1.000669
H -5.527235 -0.557468 -0.746057
H -5.535945 -0.679737 1.023605
H -1.526343 1.209406 1.207492
H -1.536688 1.394276 -0.588356
H -6.741670 1.561125 1.178275
H -6.732279 1.683473 -0.603760
H -7.673218 0.393049 0.197925
H 0.356626 2.248452 0.408184
H 3.972698 -1.168405 -0.026558
H 2.714949 2.967146 0.456245
H 5.124812 2.339260 0.356929
H 5.626673 0.681275 0.160731
H 2.493839 -4.003036 -0.335395


