%chk=000028423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028423

0 1
 O    1.927500     -0.3230000      0.9324000    
 O    4.047300      7.7299997E-02  0.2842000    
 O   -4.247800       1.631300      0.1807000    
 O    2.359400      0.3295000      -1.265300    
 N   -3.475500     -0.5442000     -0.2986000    
 C   -2.116100     -0.4884000      1.0500000E-02
 C   0.6018000     -0.3769000      0.6291000    
 C   -1.557000      0.6981000      0.4848000    
 C   -1.316300      -1.619300     -0.1544000    
 C  -0.1979000      0.7539000      0.7940000    
 C   4.2700000E-02  -1.563500      0.1550000    
 C   -4.428200      0.4786000     -0.1985000    
 C    5.012700      0.4515000     -0.7040000    
 C    6.392200      0.4235000     -8.1299998E-02
 C    2.751100      5.8300000E-02 -0.1371000    
 C   -5.795800      1.3200000E-02 -0.6315000    
 H   -2.111200       1.613400      0.6388000    
 H   -1.738600      -2.550800     -0.5229000    
 H   0.2324000       1.680700       1.164100    
 H   0.6599000      -2.448300      2.5100000E-02
 H   -3.806900      -1.444700     -0.6381000    
 H    4.970200     -0.2538000      -1.541500    
 H    4.790800       1.461300      -1.067100    
 H    6.445000       1.110700      0.7695000    
 H    6.621400     -0.5760000      0.3028000    
 H    7.156500      0.7053000     -0.8110000    
 H   -5.767300     -0.2897000      -1.682000    
 H   -6.518000      0.8259000     -0.5151000    
 H   -6.112400     -0.8330000     -1.5200000E-02


%chk=000028423-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028423

0 1
O 1.933176 0.512857 0.213161
O 4.136235 0.418253 0.092806
O -4.581828 1.264703 0.929377
O 2.926697 -1.228248 -1.057444
N -3.626240 -0.456288 -0.352292
C -2.232666 -0.199312 -0.199866
C 0.554446 0.182506 0.008654
C -1.721335 0.881353 0.570209
C -1.327737 -1.074309 -0.855476
C -0.329533 1.062467 0.667386
C 0.067272 -0.897497 -0.761493
C -4.706886 0.245289 0.188293
C 5.409118 -0.211021 -0.387534
C 6.544744 0.620564 0.195704
C 2.984321 -0.211259 -0.330498
C -6.078957 -0.313695 -0.184497
H -2.414084 1.555417 1.075793
H -1.711853 -1.911984 -1.451912
H 0.086251 1.886712 1.253995
H 0.751934 -1.577039 -1.269740
H -3.858942 -1.262790 -0.935654
H 5.428473 -1.260481 -0.042463
H 5.401873 -0.206292 -1.492445
H 6.484997 1.666518 -0.149368
H 6.511610 0.614805 1.298207
H 7.515204 0.201405 -0.126746
H -6.659805 0.474927 -0.693100
H -6.622400 -0.572532 0.740515
H -6.042187 -1.204130 -0.836170


