%chk=000031069.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031069

0 1
 O  -0.9753000       2.859600     -0.3440000    
 O   -3.509500       1.977600     -0.4146000    
 N   0.3052000      -3.181500     -0.1521000    
 C   0.7041000      -1.799300      0.2210000    
 C  -0.4213000     -0.7783000      2.1900000E-02
 C    1.944700      -1.333400     -0.5745000    
 C   -1.760800      -1.208700     -4.8500001E-02
 C  -0.9613000      -3.532600      0.5100000    
 C   -2.096700      -2.673900     -3.9099999E-02
 C  -0.1073000      0.6040000     -2.5800001E-02
 C    2.323500      8.8200003E-02 -0.2238000    
 C    1.308600       1.032400      4.4000000E-02
 C   -2.787300     -0.2710000     -0.1965000    
 C   -1.167000       1.517200     -0.1725000    
 C    1.324800      -4.171200      0.2119000    
 C   -2.491200       1.085100     -0.2548000    
 C    3.675300      0.4648000     -0.2083000    
 C    1.704000       2.342500      0.3691000    
 C    4.037600       1.770900      0.1056000    
 C    3.053100       2.707200      0.3997000    
 C   -4.103500       2.500400      0.7713000    
 H   0.9440000      -1.776800       1.295600    
 H    1.758100      -1.383600      -1.655500    
 H    2.800100      -1.981200     -0.3545000    
 H  -0.8798000      -3.409800       1.598700    
 H   -1.217900      -4.582900      0.3227000    
 H   -2.994000      -2.847200      0.5671000    
 H   -2.325300      -2.979600      -1.068200    
 H   -3.820100     -0.6029000     -0.2741000    
 H    1.582300      -4.127600       1.276100    
 H    2.237100      -4.041900     -0.3775000    
 H   0.9747000      -5.185700     -1.2700000E-02
 H    4.451900     -0.2611000     -0.4352000    
 H   0.9996000       3.112300      0.6631000    
 H    5.085100       2.056100      0.1261000    
 H    3.332900       3.723400      0.6628000    
 H   -1.829900       3.293100     -0.5084000    
 H   -4.584900       1.699500       1.341300    
 H   -4.865200       3.228900      0.4805000    
 H   -3.356100       3.004700       1.392100    


%chk=000031069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031069

0 1
O -0.746811 3.044100 0.088630
O -3.264469 2.374588 0.136838
N 0.273520 -3.117651 -0.016688
C 0.761417 -1.734505 0.238557
C -0.362878 -0.690504 0.193388
C 1.848900 -1.308355 -0.773783
C -1.722010 -1.071582 0.212522
C -0.958005 -3.409345 0.757188
C -2.110890 -2.540813 0.238365
C 0.022041 0.696819 0.149459
C 2.383091 0.061147 -0.394971
C 1.466785 1.052690 0.078532
C -2.739169 -0.081775 0.196311
C -1.012560 1.666110 0.143469
C 1.314235 -4.138166 0.233113
C -2.379373 1.269916 0.162263
C 3.759031 0.361476 -0.494873
C 1.978663 2.327352 0.450294
C 4.254616 1.633606 -0.130351
C 3.356391 2.613371 0.349129
C -4.698736 2.092945 0.121408
H 1.224340 -1.682501 1.264535
H 1.388920 -1.295640 -1.782763
H 2.679876 -2.033654 -0.798786
H -0.809532 -3.230497 1.854065
H -1.202558 -4.479671 0.627594
H -3.008880 -2.689094 0.869479
H -2.369168 -2.877247 -0.785176
H -3.789646 -0.390480 0.212239
H 1.711903 -4.112124 1.279900
H 2.163728 -4.011415 -0.457703
H 0.887481 -5.140327 0.052443
H 4.447928 -0.410664 -0.859284
H 1.290318 3.094569 0.807228
H 5.325121 1.853514 -0.212109
H 3.726319 3.602065 0.643424
H -1.625064 3.511511 0.034220
H -4.975277 1.499273 -0.770958
H -5.192620 3.075039 0.084596
H -5.004678 1.553619 1.038258


