%chk=000020578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020578

1 1
 O   0.9130000      0.5887000      1.5799999E-02
 O  -0.2508000      -1.379900      9.2000002E-03
 N    4.604600      4.3400001E-02 -7.4000000E-03
 N   -1.329400      0.6978000      7.0000002E-03
 C    3.301300      0.8285000      2.6600000E-02
 C    4.639000     -0.8291000      -1.253800    
 C    5.779000       1.011200     -3.3000000E-02
 C    4.699400     -0.8366000       1.230600    
 C    2.134100     -0.1389000      2.0600000E-02
 C  -0.2427000     -0.1550000      1.0200000E-02
 C   -2.701700      0.3589000      8.9999998E-04
 C   -3.650600       1.368900     -1.6000000E-03
 C   -3.071800     -0.9766000     -1.6000000E-03
 C   -5.004800       1.034700     -7.0000002E-03
 C   -4.426000      -1.310800     -7.0000002E-03
 C   -5.392600     -0.3052000     -9.6000005E-03
 H    3.296900       1.457200      0.9251000    
 H    3.273700       1.490400     -0.8475000    
 H    3.964100      -1.681000      -1.140200    
 H    4.372700     -0.2173000      -2.120700    
 H    5.658800      -1.211200      -1.368900    
 H    5.734300       1.631500      0.8672000    
 H    6.708500      0.4346000     -5.2499998E-02
 H    5.695900       1.630900     -0.9308000    
 H    4.502600     -0.2229000       2.114600    
 H    3.995400      -1.669000       1.158700    
 H    5.715000      -1.242900       1.278100    
 H    2.128800     -0.7692000     -0.8724000    
 H    2.129100     -0.7713000      0.9128000    
 H   -1.118900       1.692800      8.8999998E-03
 H   -3.359500       2.415700      6.0000003E-04
 H   -2.383000      -1.808900      3.0000001E-04
 H   -5.757500       1.817700     -8.9999996E-03
 H   -4.729300      -2.353800     -9.1000004E-03
 H   -6.447000     -0.5654000     -1.3700000E-02


%chk=000020578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020578

1 1
O 0.923562 0.492150 0.004277
O -0.298142 -1.526215 -0.002492
N 4.675412 0.038662 -0.009570
N -1.353505 0.607008 0.006092
C 3.256576 0.654732 -0.000936
C 4.891008 -0.817538 -1.259045
C 5.682578 1.191968 -0.020486
C 4.909630 -0.810330 1.241437
C 2.112526 -0.368961 0.002105
C -0.310788 -0.273922 0.002393
C -2.754834 0.299209 0.004880
C -3.651403 1.397924 0.008839
C -3.246528 -1.029831 0.000045
C -5.042122 1.168017 0.007944
C -4.642712 -1.241165 -0.000800
C -5.545332 -0.153650 0.003099
H 3.189207 1.292509 0.896763
H 3.180087 1.295748 -0.895591
H 4.238610 -1.701247 -1.220864
H 4.655907 -0.216080 -2.150343
H 5.943346 -1.139006 -1.290870
H 5.531327 1.809329 0.877806
H 6.702585 0.778685 -0.023350
H 5.522460 1.799875 -0.923685
H 4.695795 -0.201220 2.132927
H 4.250987 -1.689977 1.222144
H 5.960318 -1.138450 1.255253
H 2.102176 -1.015850 -0.894045
H 2.105898 -1.014924 0.898954
H -1.101234 1.598330 0.009986
H -3.267836 2.426286 0.012598
H -2.554922 -1.874805 -0.002936
H -5.730070 2.019719 0.011014
H -5.024758 -2.267447 -0.004535
H -6.625209 -0.331632 0.002392


