%chk=000004919.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004919

0 1
 O    1.327200      0.2523000      -2.046800    
 N   -3.042900     -0.4353000     -5.8100000E-02
 C    1.122100       1.236800      9.9200003E-02
 C   0.7279000      3.1700000E-02 -0.7524000    
 C    2.649100       1.364100      0.1846000    
 C   0.4970000       2.522500     -0.4588000    
 C  -0.8107000     -2.2299999E-02 -0.9728000    
 C    3.068300       2.593500      0.9875000    
 C   0.9199000       3.750100      0.3450000    
 C    2.438200       3.868200      0.4351000    
 C   -1.623100     -0.4232000      0.2616000    
 C    1.264400      -1.316800     -0.2644000    
 C   -3.868100     -0.8394000       1.079900    
 C   -3.540900      0.8863000     -0.4379000    
 C   -5.265500     -0.4102000      0.6577000    
 C   -5.050400      0.7215000     -0.3425000    
 C    1.470400      -1.493900       1.084100    
 C    1.519800      -2.298400      -1.193300    
 C    1.959500      -2.722200       1.528800    
 C    2.008800      -3.526800     -0.7487000    
 C    2.228700      -3.738600      0.6124000    
 H   0.7336000       1.133500       1.119700    
 H    3.085800       1.452200     -0.8183000    
 H    3.115700      0.4910000      0.6487000    
 H  -0.5951000       2.497900     -0.4054000    
 H   0.7767000       2.685100      -1.505800    
 H   -1.164900      0.8953000      -1.446800    
 H   -1.005100     -0.7794000      -1.749600    
 H    4.160100       2.688200      0.9742000    
 H    2.771900       2.463300       2.035700    
 H   0.4988000       3.688000       1.356300    
 H   0.5071000       4.654300     -0.1166000    
 H    2.705000       4.718200       1.073200    
 H    2.847600       4.075500     -0.5614000    
 H   -1.415200      0.2596000       1.093800    
 H   -1.336600      -1.430800      0.5813000    
 H   -3.816400      -1.916700       1.266000    
 H   -3.581000     -0.3116000       1.998600    
 H   -3.207600       1.666800      0.2582000    
 H   -3.267200       1.178600      -1.455800    
 H   -5.861800     -8.4700003E-02   1.516100    
 H   -5.797300      -1.237400      0.1729000    
 H   -5.475300      0.4424000      -1.314000    
 H   -5.535600       1.647300     -1.7200001E-02
 H   0.7615000      0.8518000      -2.560800    
 H    1.249500     -0.7432000       1.832800    
 H    1.340800      -2.164500      -2.255300    
 H    2.124700      -2.890000       2.589100    
 H    2.214300      -4.320100      -1.461500    
 H    2.607100      -4.695900      0.9587000    


%chk=000004919-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004919

0 1
O 1.296216 0.185575 -2.209685
N -3.086295 -0.339823 0.018111
C 1.183917 1.275274 0.029208
C 0.731247 0.045122 -0.836443
C 2.729973 1.378899 0.115928
C 0.591926 2.619848 -0.476182
C -0.821527 -0.060090 -1.003696
C 3.181233 2.571495 0.991275
C 1.042247 3.813437 0.401883
C 2.582408 3.905407 0.488351
C -1.645454 -0.181268 0.294813
C 1.283344 -1.290834 -0.306292
C -3.893368 -0.753555 1.195257
C -3.768766 0.867001 -0.521618
C -5.342699 -0.622375 0.680363
C -5.287766 0.605733 -0.287302
C 1.308769 -1.587846 1.081351
C 1.718116 -2.287544 -1.216358
C 1.755270 -2.844873 1.546756
C 2.166782 -3.544254 -0.752935
C 2.186012 -3.831652 0.631124
H 0.794418 1.120956 1.058611
H 3.132773 1.490181 -0.910214
H 3.149431 0.438194 0.517210
H -0.514398 2.581132 -0.494646
H 0.932436 2.804708 -1.518285
H -1.170089 0.824826 -1.574540
H -1.032067 -0.946457 -1.629883
H 4.287105 2.629005 1.003589
H 2.859423 2.402635 2.040717
H 0.627885 3.687116 1.424113
H 0.619485 4.755021 0.000033
H 2.879956 4.739293 1.153652
H 2.992406 4.132778 -0.517572
H -1.459907 0.710411 0.953190
H -1.308576 -1.075320 0.850651
H -3.629594 -1.780558 1.504675
H -3.731539 -0.074718 2.073872
H -3.445590 1.789621 0.029312
H -3.525207 1.013162 -1.588772
H -6.066822 -0.485845 1.502341
H -5.621438 -1.533543 0.123789
H -5.810259 0.383712 -1.233102
H -5.769634 1.494583 0.156641
H 0.826941 0.937073 -2.652478
H 0.991871 -0.836514 1.813778
H 1.714262 -2.054448 -2.284243
H 1.768432 -3.050815 2.623295
H 2.503374 -4.298688 -1.473556
H 2.534136 -4.806578 0.990913


