%chk=000016798.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016798

0 1
 O  -0.3600000     -0.4896000     -0.5304000    
 O   7.3600002E-02   1.419300      -1.741700    
 N   -3.891600      0.3027000       1.347200    
 C   -3.951200     -0.9395000      0.5619000    
 C   -3.467400       1.422800      0.4934000    
 C   -2.511500      -1.309000      0.1554000    
 C   -2.003000       1.173600      8.3200000E-02
 C   -1.754800     -0.1910000     -0.5625000    
 C   -4.921200     -0.8438000     -0.6309000    
 C   -4.410500       1.649700     -0.7032000    
 C   -4.730500      0.3918000      -1.507300    
 C   -5.117700      0.5755000       2.090000    
 C   0.4565000      0.4085000      -1.166200    
 C    1.914900     -6.3999998E-03 -0.9984000    
 C    2.783500       1.051900     -0.3313000    
 C    2.073200      -1.371400     -0.3406000    
 C    4.122200       1.117500     -0.6580000    
 C    2.166500      -1.441000       1.033700    
 C    2.204600       1.912200      0.5784000    
 C    2.117500      -2.494400      -1.140000    
 C    4.917700       2.086800     -4.7200002E-02
 C    2.311100      -2.690700       1.636200    
 C    3.000200       2.881700       1.189000    
 C    2.262000      -3.744200     -0.5375000    
 C    4.356900       2.968900      0.8762000    
 C    2.358900      -3.842100      0.8506000    
 H   -4.301900      -1.755700       1.207800    
 H   -3.462700       2.345300       1.089800    
 H   -1.950900      -1.588600       1.059200    
 H   -2.508900      -2.211300     -0.4693000    
 H   -1.710100       2.001100     -0.5686000    
 H   -1.368600       1.264500      0.9768000    
 H   -2.052400     -0.1790000      -1.614200    
 H   -5.950000     -0.8355000     -0.2484000    
 H   -4.843300      -1.744300      -1.252000    
 H   -3.993400       2.411700      -1.372900    
 H   -5.355500       2.067000     -0.3322000    
 H   -3.945700      0.2101000      -2.246300    
 H   -5.638300      0.5605000      -2.099800    
 H   -4.990900       1.463500       2.719300    
 H   -5.342900     -0.2545000       2.769100    
 H   -5.991900      0.7361000       1.452000    
 H    2.276000     -9.9799998E-02  -2.034800    
 H    4.567000      0.4341000      -1.375000    
 H    2.108900     -0.5724000       1.679300    
 H    1.156600       1.856800      0.8537000    
 H    2.039900      -2.428400      -2.220900    
 H    5.974100       2.154400     -0.2903000    
 H    2.380600      -2.768100       2.717300    
 H    2.564600       3.566100       1.911200    
 H    2.297900      -4.641000      -1.149000    
 H    4.976600       3.722800       1.352600    
 H    2.469800      -4.815400       1.319800    


%chk=000016798-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016798

0 1
O -0.258935 -0.123599 -0.198489
O 0.059392 0.406286 -2.445195
N -3.974036 0.948784 1.282504
C -3.873136 -0.511473 0.993531
C -3.637228 1.736440 0.061080
C -2.376580 -0.842793 0.737147
C -2.130137 1.515053 -0.246893
C -1.754824 0.024530 -0.367955
C -4.847253 -0.952217 -0.143966
C -4.600560 1.420515 -1.125934
C -4.716430 -0.097385 -1.434254
C -5.208470 1.364181 1.973159
C 0.526059 0.094672 -1.323726
C 2.025923 -0.127894 -1.050901
C 2.660082 0.955556 -0.165768
C 2.278596 -1.568329 -0.562077
C 3.962117 1.409173 -0.502092
C 2.295385 -1.912960 0.811409
C 2.027044 1.500107 0.981020
C 2.483533 -2.587418 -1.526661
C 4.620033 2.378865 0.285225
C 2.509451 -3.250720 1.210600
C 2.682821 2.475185 1.766953
C 2.695674 -3.926751 -1.129450
C 3.980597 2.918010 1.425516
C 2.709006 -4.263376 0.243321
H -4.165768 -1.049632 1.916878
H -3.756680 2.807706 0.318147
H -1.827666 -0.643715 1.675819
H -2.251716 -1.914174 0.493760
H -1.839098 2.052537 -1.167257
H -1.558720 1.941488 0.598830
H -1.980218 -0.354897 -1.378202
H -5.882688 -0.863323 0.242547
H -4.692207 -2.023629 -0.377942
H -4.273502 1.969035 -2.030397
H -5.604053 1.813668 -0.865164
H -3.842695 -0.429531 -2.024051
H -5.597776 -0.274252 -2.080622
H -5.132028 2.435065 2.237587
H -5.307120 0.790766 2.913324
H -6.153854 1.227004 1.393724
H 2.479828 -0.036818 -2.054387
H 4.464592 0.997161 -1.385962
H 2.149801 -1.135369 1.567431
H 1.020423 1.165949 1.249758
H 2.473734 -2.331721 -2.593775
H 5.625167 2.715638 0.007348
H 2.523716 -3.503050 2.277130
H 2.177168 2.888879 2.647084
H 2.854434 -4.701988 -1.887648
H 4.485861 3.674667 2.036195
H 2.877442 -5.300107 0.555943


