%chk=000052576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052576

0 1
 N   -1.688900      0.6094000      0.5188000    
 N    3.129000      0.2815000     -0.4633000    
 N    5.817800     -0.3893000      0.3607000    
 C   -3.521200     -0.5233000     -0.4880000    
 C   -3.995400      0.4299000      0.5993000    
 C   -2.023400     -0.6197000     -0.2309000    
 C   -2.888100       1.464700      0.5770000    
 C   -4.340000      -1.808800     -0.4640000    
 C   -5.417400      0.8968000      0.3103000    
 C  -0.5321000       1.308200     -1.8500000E-02
 C   -5.814100      -1.492900     -0.3721000    
 C   -6.295100     -0.2792000     -4.6100002E-02
 C   0.7301000      0.4442000      2.5200000E-02
 C    1.965600       1.164500     -0.5180000    
 C    3.428600     -0.1009000      0.9220000    
 C    4.297200      0.9193000      -1.082600    
 C    4.649100      -1.026000      0.9802000    
 C    5.518300     -4.9000001E-03  -1.024100    
 C    6.980200      -1.273600      0.4142000    
 H   -3.662800     -4.2900000E-02  -1.469800    
 H   -3.987100     -8.2300000E-02   1.574900    
 H   -1.771500      -1.492000      0.3817000    
 H   -1.505800     -0.7120000      -1.192600    
 H   -2.974500       2.110300     -0.3063000    
 H   -2.891100       2.089300       1.475500    
 H   -4.061300      -2.439600      0.3878000    
 H   -4.144000      -2.384400      -1.375500    
 H   -5.438800       1.616800     -0.5160000    
 H   -5.821900       1.402800       1.194000    
 H  -0.7179000       1.632800      -1.050700    
 H  -0.3511000       2.214200      0.5738000    
 H   -6.510700      -2.296700     -0.5922000    
 H   -7.369900     -0.1236000     -2.6200000E-02
 H   0.5933000     -0.4847000     -0.5406000    
 H   0.8608000      0.1661000       1.075900    
 H    2.139500       2.090200      4.5800000E-02
 H    1.768500       1.449700      -1.559100    
 H    2.616400     -0.6767000       1.373200    
 H    3.601600      0.7840000       1.549100    
 H    4.531300       1.872000     -0.5885000    
 H    4.084500       1.141400      -2.135400    
 H    4.864200      -1.248400       2.032600    
 H    4.414900      -1.979000      0.4862000    
 H    5.339600     -0.8920000      -1.646900    
 H    6.374900      0.5283000      -1.454200    
 H    7.860600     -0.7769000     -8.2999999E-03
 H    6.815900      -2.208700     -0.1333000    
 H    7.227300      -1.521100       1.452500    


%chk=000052576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052576

0 1
N -1.758613 0.597931 0.246669
N 3.234491 0.276786 -0.329142
N 5.975288 -0.402265 0.367733
C -3.723912 -0.544794 -0.581841
C -4.092565 0.468623 0.534536
C -2.177108 -0.628903 -0.507708
C -2.942929 1.483889 0.422523
C -4.543437 -1.836915 -0.425130
C -5.542993 0.947240 0.361753
C -0.524042 1.252035 -0.211447
C -6.012649 -1.494578 -0.199511
C -6.459598 -0.249795 0.127050
C 0.731495 0.389822 0.043502
C 2.020629 1.130899 -0.364130
C 3.598115 -0.159874 1.043099
C 4.391838 0.955671 -0.967414
C 4.826562 -1.083531 1.009830
C 5.615411 0.026764 -1.004045
C 7.204041 -1.216262 0.401712
H -4.007038 -0.077260 -1.548633
H -3.999573 -0.047447 1.511891
H -1.840282 -1.543933 0.020581
H -1.727065 -0.650604 -1.527160
H -3.117888 2.163145 -0.452961
H -2.818910 2.114802 1.322528
H -4.157059 -2.432892 0.429745
H -4.446221 -2.486121 -1.318706
H -5.619645 1.654406 -0.492696
H -5.887019 1.508086 1.253956
H -0.571796 1.511142 -1.304406
H -0.422075 2.209672 0.337937
H -6.740455 -2.309036 -0.323366
H -7.539595 -0.082321 0.244906
H 0.673329 -0.553665 -0.532381
H 0.742086 0.121004 1.116198
H 2.142423 2.041184 0.282814
H 1.906368 1.493582 -1.405870
H 2.749201 -0.710139 1.485337
H 3.823467 0.719213 1.700607
H 4.671721 1.891287 -0.418758
H 4.110730 1.234683 -2.000648
H 5.108680 -1.355561 2.044661
H 4.553008 -2.024718 0.466419
H 5.383650 -0.850765 -1.661559
H 6.474952 0.567034 -1.444318
H 8.042640 -0.643501 -0.034214
H 7.114910 -2.180904 -0.161491
H 7.462527 -1.456314 1.449046


