%chk=000005654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005654

0 1
 O   -4.089800      -1.127200      0.1129000    
 O   0.5316000     -0.5177000      -1.787200    
 O   -4.999500      0.9872000      0.1396000    
 N  -0.8400000       1.968900     -0.1324000    
 N    2.859400     -0.8992000      -1.661100    
 C  -0.4842000      0.8559000      0.5214000    
 C   -1.511400      4.1900001E-02  0.7437000    
 C   -2.633300      0.6962000      0.1775000    
 C   -2.189300       1.885200     -0.3576000    
 C    1.890900      0.1886000      0.1046000    
 C   0.9475000      0.7547000      0.8594000    
 C    3.317600      5.6299999E-02  0.3799000    
 C    3.857600     -0.6111000     -0.7234000    
 C    1.610800     -0.4398000      -1.230000    
 C   -1.515800      -1.268000       1.429000    
 C   -2.908500       2.962700      -1.065200    
 C    4.122600      0.4406000       1.435500    
 C   -3.995900      0.2444000      0.1433000    
 C    5.201000     -0.9171000     -0.8177000    
 C    5.487000      0.1403000       1.360600    
 C    6.020800     -0.5319000      0.2448000    
 C   -5.400900      -1.701100      7.5800002E-02
 C   -5.278200      -3.209700      4.6599999E-02
 H  -0.2416000       2.735200     -0.4147000    
 H    1.219700       1.190800       1.818200    
 H   -1.620500      -2.081900      0.7042000    
 H  -0.5866000      -1.437000       1.983400    
 H   -2.336400      -1.332800       2.151100    
 H    3.034900      -1.379800      -2.535600    
 H   -3.526100       2.552000      -1.870600    
 H   -3.561100       3.505000     -0.3735000    
 H   -2.219400       3.686000      -1.513700    
 H    3.722600      0.9587000       2.300100    
 H    5.610700      -1.435000      -1.677400    
 H    6.146100      0.4295000       2.175100    
 H    7.084500     -0.7528000      0.2123000    
 H   -5.958000      -1.389900      0.9660000    
 H   -5.924200      -1.352400     -0.8212000    
 H   -6.264100      -3.682100      1.8900000E-02
 H   -4.706100      -3.532700     -0.8294000    
 H   -4.737900      -3.569100      0.9288000    


%chk=000005654-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005654

0 1
O -4.463437 -1.098218 0.658465
O 1.506698 2.185594 -1.830831
O -5.022504 0.616576 -0.821768
N -0.772968 1.127296 -1.043733
N 3.740505 1.663922 -1.277099
C -0.400173 0.095794 -0.151590
C -1.604071 -0.523452 0.313670
C -2.688821 0.167637 -0.325286
C -2.128747 1.190735 -1.165187
C 2.151862 0.340001 -0.233826
C 0.945888 -0.223849 0.184151
C 3.493564 -0.086394 0.193352
C 4.450699 0.748493 -0.466067
C 2.356512 1.471160 -1.182671
C -1.688384 -1.671453 1.282084
C -2.805520 2.193753 -2.048535
C 3.952472 -1.093453 1.069280
C -4.134249 -0.046200 -0.216450
C 5.834795 0.607599 -0.277325
C 5.345075 -1.249890 1.271103
C 6.274374 -0.410124 0.606494
C -5.923971 -1.365320 0.811867
C -6.061830 -2.499100 1.823706
H -0.028802 1.718266 -1.509134
H 1.037813 -1.057284 0.893418
H -2.220999 -2.528295 0.833280
H -0.690214 -2.011343 1.606289
H -2.269970 -1.390482 2.177982
H 4.150163 2.385387 -1.868883
H -3.464110 1.691399 -2.777924
H -3.465924 2.853828 -1.458646
H -2.064858 2.809504 -2.586550
H 3.247978 -1.750962 1.591456
H 6.554515 1.255139 -0.789436
H 5.710433 -2.028727 1.948907
H 7.347703 -0.547791 0.776791
H -6.418003 -0.435581 1.147764
H -6.336899 -1.630640 -0.178532
H -7.130272 -2.741524 1.970505
H -5.545431 -3.408601 1.471080
H -5.634394 -2.211600 2.799827


