%chk=000042697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042697

0 1
 O    3.624800      -1.181800      -1.099000    
 O   -1.878400      -1.475300       2.075000    
 N    2.375300       2.346800      0.5089000    
 C    1.989700     -6.8400003E-02  0.2548000    
 C    2.973500       1.015800      0.6065000    
 C   0.7056000     -4.1000000E-03  0.7801000    
 C    2.366800      -1.112000     -0.5802000    
 C  -0.2175000      -1.001000      0.4646000    
 C    1.443600      -2.109000     -0.8954000    
 C   0.1514000      -2.053400     -0.3731000    
 C   -1.565700     -0.9425000       1.006600    
 C    1.904700       2.597000     -0.8529000    
 C    3.337900       3.370700      0.9133000    
 C   -2.642700     -0.2349000      0.2685000    
 C   -2.338900      0.3750000     -0.9312000    
 C   -3.913500     -0.2099000      0.8054000    
 C    4.602200      -1.886100     -0.3357000    
 C   -3.350400       1.039500      -1.624700    
 C   -4.925000      0.4545000      0.1118000    
 C   -4.643500       1.079200      -1.103200    
 H    3.304900      0.8292000       1.636500    
 H    3.868100      0.9684000     -2.6400000E-02
 H   0.4110000      0.8024000       1.447100    
 H    1.723600      -2.931500      -1.548000    
 H  -0.5597000      -2.835600     -0.6260000    
 H    1.077900       1.943400      -1.147300    
 H    2.707600       2.495000      -1.592900    
 H    1.508200       3.616500     -0.9322000    
 H    2.875600       4.363900      0.8906000    
 H    4.222900       3.387800      0.2668000    
 H    3.667500       3.203400       1.944900    
 H   -1.349200      0.3706000      -1.374500    
 H   -4.159200     -0.6879000       1.748700    
 H    5.562700      -1.805800     -0.8520000    
 H    4.334100      -2.944600     -0.2586000    
 H    4.705300      -1.452400      0.6639000    
 H   -3.131700       1.526300      -2.570600    
 H   -5.932000      0.4857000      0.5175000    
 H   -5.431100       1.596500      -1.643100    


%chk=000042697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042697

0 1
O 3.950086 -1.535533 -0.710085
O -2.291942 -2.593395 0.371249
N 2.053644 2.209597 -0.025800
C 1.940790 -0.288957 -0.000411
C 2.763186 0.954741 0.323582
C 0.535688 -0.280087 0.162965
C 2.552099 -1.483361 -0.467793
C -0.252752 -1.424444 -0.122012
C 1.780032 -2.632531 -0.765842
C 0.387908 -2.608164 -0.583051
C -1.734982 -1.477253 0.113832
C 1.963705 2.418961 -1.486225
C 2.610728 3.385387 0.671482
C -2.575090 -0.230248 0.048311
C -2.253499 0.875748 -0.783819
C -3.785278 -0.205740 0.793985
C 4.771977 -1.820345 0.480531
C -3.122751 1.986302 -0.859766
C -4.642708 0.909779 0.730917
C -4.313161 2.010717 -0.097337
H 2.961388 0.987104 1.414466
H 3.755600 0.874111 -0.184106
H 0.080792 0.647745 0.524642
H 2.291120 -3.523313 -1.145078
H -0.226830 -3.491192 -0.784570
H 1.492008 1.541688 -1.961663
H 2.962280 2.574410 -1.966952
H 1.337938 3.304862 -1.695804
H 2.000935 4.275985 0.436296
H 3.670142 3.612862 0.388960
H 2.573598 3.225729 1.764103
H -1.343913 0.855950 -1.392811
H -4.033464 -1.078207 1.407436
H 5.813357 -1.842412 0.124940
H 4.501568 -2.800933 0.918077
H 4.656199 -1.032577 1.251020
H -2.873864 2.828321 -1.514976
H -5.567304 0.923629 1.318435
H -4.982833 2.876464 -0.152629


