%chk=000045806.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045806

2 1
 N    4.046900      5.0999999E-02 -1.2900000E-02
 N   -3.916000      0.1836000      6.6299997E-02
 C    2.570600      0.3828000      0.1499000    
 C    4.408500      -1.114200      0.8969000    
 C    4.883900       1.265700      0.3616000    
 C    1.714400     -0.8242000     -0.2182000    
 C    4.324800     -0.3301000      -1.459900    
 C   -2.494200     -7.0900001E-02 -5.5000000E-03
 C   -4.793900      -1.058700      0.4171000    
 C   -4.257600       1.238200       1.157300    
 C   0.2310000     -0.5587000     -0.1433000    
 C   -4.476400      0.7032000      -1.288300    
 C    5.876900      -1.439000      0.7307000    
 C    4.520100       2.420400     -0.5460000    
 C   -1.812600     -0.5433000       1.116000    
 C   -1.804500      0.1561000      -1.196400    
 C  -0.4412000     -0.7887000       1.046800    
 C  -0.4332000     -8.9400001E-02  -1.265800    
 C   -4.616300      -2.112900     -0.6537000    
 C   -3.531600       2.529000      0.8474000    
 H    2.310100       1.210700     -0.5156000    
 H    2.405700      0.6948000       1.188200    
 H    4.167500     -0.8370000       1.928800    
 H    3.837900      -1.998800      0.6068000    
 H    4.697400       1.503800       1.414500    
 H    5.942900       1.037900      0.2170000    
 H    1.901200      -1.672900      0.4472000    
 H    1.929600      -1.188900      -1.228800    
 H    4.085100      -1.387100      -1.613100    
 H    5.381300     -0.1596000      -1.689600    
 H    3.705700      0.2798000      -2.125600    
 H   -4.472100      -1.427100       1.396900    
 H   -5.838900     -0.7350000      0.4845000    
 H   -5.342700       1.393600       1.148200    
 H   -3.969400      0.8340000       2.133400    
 H   -4.001100       1.649200      -1.559900    
 H   -4.317800     -3.1099999E-02  -2.082200    
 H   -5.551300      0.8748000      -1.163400    
 H    6.091600      -2.355800       1.293900    
 H    6.182000      -1.642500     -0.2981000    
 H    6.535500     -0.6793000       1.160000    
 H    5.221200       3.242100     -0.3530000    
 H    4.603000       2.202200      -1.613100    
 H    3.530500       2.835100     -0.3369000    
 H   -2.322300     -0.7348000       2.055900    
 H   -2.254200      0.5229000      -2.111100    
 H   8.0700003E-02  -1.154900       1.926300    
 H   9.7300000E-02  9.2600003E-02  -2.196200    
 H   -5.065000      -3.048900     -0.3007000    
 H   -5.142400      -1.868000      -1.580400    
 H   -3.571000      -2.335500     -0.8835000    
 H   -3.686700       3.223500       1.681800    
 H   -2.449600       2.416600      0.7406000    
 H   -3.924800       3.039100     -3.5700001E-02


%chk=000045806-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045806

2 1
N 4.126734 -0.003829 -0.089645
N -4.035947 0.262609 0.016609
C 2.594723 0.200976 0.042542
C 4.559526 -1.220812 0.784267
C 4.843895 1.274607 0.447143
C 1.712477 -0.993835 -0.399290
C 4.511505 -0.240916 -1.548178
C -2.544581 -0.016940 -0.112213
C -4.783721 -1.029202 0.509613
C -4.289493 1.375667 1.092929
C 0.230923 -0.627595 -0.295050
C -4.671653 0.710698 -1.296114
C 6.062553 -1.521790 0.807952
C 4.522550 2.579267 -0.290428
C -1.834641 -0.441638 1.035605
C -1.873786 0.115019 -1.345233
C -0.461023 -0.741984 0.938593
C -0.495247 -0.188534 -1.427344
C -4.633485 -2.245168 -0.405966
C -3.643892 2.726222 0.778168
H 2.349689 1.086665 -0.565569
H 2.409826 0.448280 1.103159
H 4.184052 -1.006148 1.800854
H 4.012835 -2.089997 0.384117
H 4.572087 1.342924 1.515496
H 5.921689 1.059924 0.379183
H 1.905081 -1.876576 0.234859
H 1.942717 -1.274782 -1.442013
H 4.226764 -1.261080 -1.844386
H 5.598496 -0.121724 -1.660465
H 3.996299 0.492000 -2.185455
H -4.386814 -1.241327 1.515552
H -5.841220 -0.730183 0.614655
H -5.387212 1.461143 1.171186
H -3.910598 0.969243 2.044504
H -4.194012 1.633856 -1.649610
H -4.570711 -0.080622 -2.050369
H -5.739200 0.900522 -1.107676
H 6.203884 -2.443928 1.399152
H 6.478255 -1.723948 -0.193102
H 6.662277 -0.739113 1.298948
H 5.144415 3.371554 0.162770
H 4.788239 2.547694 -1.360191
H 3.474448 2.903196 -0.183775
H -2.326122 -0.560096 2.006300
H -2.388730 0.433740 -2.253684
H 0.062814 -1.095847 1.834029
H 0.002388 -0.102096 -2.399920
H -5.124536 -3.100146 0.091466
H -5.131178 -2.120402 -1.381343
H -3.579004 -2.523734 -0.568384
H -3.815494 3.390141 1.643639
H -2.552984 2.647118 0.636240
H -4.089357 3.226325 -0.097028


