%chk=000020491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020491

0 1
 O    4.592900      0.5209000     -0.1949000    
 O  -0.3073000      -1.075400       1.615100    
 N    1.880900     -0.3391000     -0.1110000    
 C   0.4843000     -0.2647000     -0.5348000    
 C    2.306100      0.9236000      0.5089000    
 C    2.754600     -0.6612000      -1.247900    
 C  -0.4376000     -1.7999999E-02  0.6658000    
 C    3.769400      0.8266000      0.9312000    
 C    4.206900     -0.7216000     -0.7835000    
 C   -1.888200      6.1900001E-02  0.2434000    
 C   -2.424100       1.289900     -0.1049000    
 C   -2.648500      -1.094600      0.2136000    
 C   -3.761400       1.363700     -0.4946000    
 C   -3.985700      -1.020700     -0.1762000    
 C   -4.542100      0.2085000     -0.5303000    
 H   0.3404000      0.5155000      -1.294100    
 H   0.2098000      -1.222500     -0.9970000    
 H    1.749200       1.151000       1.420900    
 H    2.180500       1.758000     -0.1932000    
 H    2.654300      0.1001000      -2.032500    
 H    2.479100      -1.630900      -1.677800    
 H  -0.2083000      0.9145000       1.189700    
 H    4.105400       1.786300       1.336900    
 H    3.917300      6.7699999E-02   1.709400    
 H    4.368300      -1.533600     -6.3900001E-02
 H    4.864600     -0.9025000      -1.639700    
 H   -1.823100       2.194300     -8.2599998E-02
 H   -2.235700      -2.065900      0.4689000    
 H  -0.8721000     -0.8633000       2.378400    
 H   -4.194500       2.320600     -0.7712000    
 H   -4.593000      -1.920600     -0.2078000    
 H   -5.583100      0.2658000     -0.8350000    


%chk=000020491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020491

0 1
O 4.786489 0.186324 -0.205699
O -0.208308 -1.927088 0.583991
N 1.881846 0.229705 -0.054563
C 0.471353 0.147473 -0.486033
C 2.634795 1.318896 -0.728459
C 2.629235 -1.053162 -0.172235
C -0.465576 -0.467276 0.578907
C 4.033107 1.445959 -0.099648
C 4.026168 -0.898569 0.444546
C -1.932051 -0.169718 0.282871
C -2.615413 0.847823 0.993912
C -2.623224 -0.889109 -0.726385
C -3.964068 1.150368 0.698432
C -3.971486 -0.588948 -1.021431
C -4.645798 0.432840 -0.311723
H 0.114421 1.176667 -0.677766
H 0.339012 -0.429397 -1.434791
H 2.089673 2.273577 -0.598165
H 2.746975 1.130751 -1.826325
H 2.734532 -1.354009 -1.245630
H 2.062506 -1.842750 0.347782
H -0.183300 -0.032607 1.560961
H 4.641142 2.199131 -0.628386
H 3.929133 1.731370 0.970009
H 3.931771 -0.686157 1.531495
H 4.630561 -1.808606 0.294768
H -2.091907 1.402635 1.783121
H -2.100300 -1.686757 -1.265747
H -0.849141 -2.356186 1.206482
H -4.483055 1.937336 1.257276
H -4.497385 -1.150006 -1.802432
H -5.692405 0.663787 -0.539832


