%chk=000002145.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002145

0 1
 O    1.675300      0.9487000       2.060000    
 O    2.744000      -2.878600     -0.2494000    
 N    2.192700     -0.9355000      0.8576000    
 N   -4.759800     -0.7400000      0.1873000    
 C   0.7478000      0.8005000     -0.1836000    
 C    1.416700      0.2690000      -1.471300    
 C   0.8264000       2.345000     -0.1936000    
 C  -0.7311000      0.3866000     -8.3800003E-02
 C    1.490800      -1.250100      -1.472000    
 C    1.585000      0.3104000       1.009300    
 C    2.213000      -1.768300     -0.2549000    
 C    2.258600       2.819100     -0.3235000    
 C   -1.168100     -0.3530000       1.010000    
 C   -1.619000      0.7555000      -1.088700    
 C   -2.508500     -0.7282000       1.099900    
 C   -2.959500      0.3804000     -0.9987000    
 C   -3.404200     -0.3615000      9.5500000E-02
 H    2.450800      0.6218000      -1.560000    
 H   0.8926000      0.6085000      -2.372200    
 H   0.3962000       2.754000      0.7304000    
 H   0.2469000       2.778700      -1.017500    
 H    2.035600      -1.586000      -2.361600    
 H   0.4947000      -1.703600      -1.501000    
 H    2.698200      -1.277400       1.670500    
 H    2.962700       2.340100      0.3607000    
 H    2.634700       2.710800      -1.345500    
 H    2.296200       3.893600     -0.1078000    
 H  -0.5131000     -0.6620000       1.817000    
 H   -1.297900       1.329700      -1.952500    
 H   -2.843500      -1.306000       1.957600    
 H   -3.647800      0.6716000      -1.788100    
 H   -5.409500     -0.4762000     -0.5415000    
 H   -5.082200      -1.279700      0.9796000    


%chk=000002145-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002145

0 1
O 1.716476 0.540591 2.098765
O 2.810747 -2.971801 -0.689819
N 2.211611 -1.160063 0.624529
N -4.819757 -0.662015 0.269853
C 0.812542 0.769210 -0.204195
C 1.462614 0.369657 -1.559279
C 0.854198 2.320945 0.011965
C -0.671513 0.314911 -0.093175
C 1.529561 -1.158085 -1.757619
C 1.603119 0.078894 0.929917
C 2.234936 -1.855178 -0.605821
C 2.247909 2.982281 -0.050814
C -1.293763 0.184128 1.177828
C -1.489477 0.125773 -1.237372
C -2.656546 -0.138608 1.304699
C -2.856731 -0.194531 -1.127269
C -3.467672 -0.338555 0.150617
H 2.488227 0.780021 -1.597352
H 0.911937 0.839310 -2.393490
H 0.404960 2.527500 0.999949
H 0.183676 2.772456 -0.745528
H 2.062240 -1.432192 -2.684120
H 0.511784 -1.587990 -1.829565
H 2.694829 -1.618500 1.407843
H 2.934622 2.537405 0.691227
H 2.712198 2.905414 -1.050845
H 2.160310 4.058505 0.185255
H -0.703440 0.340931 2.087860
H -1.071168 0.236904 -2.244039
H -3.100611 -0.235896 2.303163
H -3.456856 -0.334345 -2.035013
H -5.396114 -0.808855 -0.553258
H -5.250147 -0.770324 1.183301


