%chk=000063744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063744

0 1
 O   -3.008000      -2.321400       1.128100    
 N    2.047400     -0.5050000     -0.6406000    
 N    4.387400      0.5441000      0.6945000    
 N  -0.5866000      0.1752000     -0.8652000    
 N  -0.9891000      -1.965400      0.1029000    
 C    2.045700     -0.2384000      0.8031000    
 C    3.401100     -0.8423000      -1.097400    
 C    3.033700      0.8799000       1.152500    
 C    4.388600      0.2766000     -0.7490000    
 C    1.106300      -1.572800     -0.9724000    
 C    5.327400       1.613300       1.025100    
 C  -0.2417000      -1.115600     -0.5397000    
 C   -1.841400      0.6581000     -0.4891000    
 C   -2.711200     -0.1903000      0.2098000    
 C   -2.250400      -1.574000      0.5171000    
 C   -2.249400       1.960500     -0.7889000    
 C   -3.975600      0.2543000      0.6051000    
 C   -3.511900       2.407100     -0.3953000    
 C   -4.372100       1.556200      0.2994000    
 H    2.310400      -1.145800       1.364000    
 H    1.067800      8.8000000E-02   1.172000    
 H    3.401700     -0.9761000      -2.186000    
 H    3.741100      -1.787200     -0.6518000    
 H    2.692500       1.825400      0.7093000    
 H    3.035000       1.011300       2.241500    
 H    5.390500     -3.6600001E-02  -1.066900    
 H    4.134300       1.182700      -1.315600    
 H    1.071100      -1.735200      -2.056100    
 H    1.367200      -2.521800     -0.4884000    
 H    5.356400       1.778300       2.107900    
 H    5.066600       2.560300      0.5389000    
 H    6.343800       1.338700      0.7219000    
 H   4.0399998E-02  0.7890000      -1.371400    
 H   -1.589800       2.634800      -1.329200    
 H   -4.659900     -0.3923000       1.146800    
 H   -3.825500       3.420200     -0.6305000    
 H   -5.353500       1.909100      0.6034000    


%chk=000063744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063744

0 1
O -3.631827 -2.523296 0.303043
N 2.032055 -0.665155 -0.270530
N 4.470748 0.718576 0.446921
N -0.530178 0.044554 -0.398988
N -1.329901 -2.193443 -0.020464
C 2.402746 -0.444225 1.157630
C 3.252122 -0.770371 -1.116641
C 3.261377 0.822588 1.293262
C 4.103443 0.501825 -0.970495
C 1.078115 -1.789372 -0.438883
C 5.392531 1.855629 0.629772
C -0.363408 -1.317907 -0.254614
C -1.798117 0.630418 -0.300042
C -2.899721 -0.244739 -0.054735
C -2.676814 -1.721749 0.089253
C -1.994948 2.028994 -0.434925
C -4.200767 0.307657 0.051454
C -3.296315 2.550959 -0.325536
C -4.403484 1.693059 -0.082001
H 2.971384 -1.316683 1.555697
H 1.477877 -0.336290 1.753957
H 2.942963 -0.891485 -2.171137
H 3.870927 -1.651794 -0.827382
H 2.638234 1.714573 1.017414
H 3.572057 0.942329 2.347573
H 5.028693 0.391298 -1.565900
H 3.528810 1.371010 -1.386317
H 1.170648 -2.194307 -1.464591
H 1.254244 -2.636007 0.257116
H 5.689122 1.926405 1.691454
H 4.949946 2.838638 0.327609
H 6.306684 1.693782 0.031271
H 0.357588 0.558520 -0.545962
H -1.140901 2.689198 -0.624666
H -5.028740 -0.383923 0.239318
H -3.455982 3.629835 -0.429827
H -5.410912 2.113798 0.000694


