%chk=000041852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041852

2 1
 N    3.445600      -1.078800      0.3045000    
 N   -3.434500      -1.078700     -0.3046000    
 C    5.477100      0.2993000      0.1146000    
 C   -5.487600      0.2976000     -0.1152000    
 C    7.005000      0.3986000      0.1645000    
 C   -7.015500      0.3958000     -0.1656000    
 C    4.900000      -1.078400      0.4330000    
 C   -4.909300      -1.079100     -0.4354000    
 C    7.537200       1.778700     -0.2275000    
 C   -7.549000       1.775000      0.2282000    
 C    9.056300       1.850900     -6.6900000E-02
 C   -9.068000       1.846200      6.7299999E-02
 C   0.7260000      -1.078900      6.4000003E-02
 C  -0.7149000      -1.078500     -6.3500002E-02
 C    2.702300     -0.7756000       1.377400    
 C   -2.891100      -1.383500      0.8817000    
 C    2.902100      -1.382100     -0.8822000    
 C   -2.691000     -0.7738000      -1.376900    
 C    1.317800     -0.7677000       1.284500    
 C   -1.511900      -1.391500       1.033600    
 C    1.522800      -1.390100      -1.033800    
 C   -1.306600     -0.7657000      -1.283700    
 C    9.587800       3.233000     -0.4116000    
 C   -9.600700       3.227400      0.4137000    
 H    5.139800      0.6013000     -0.8853000    
 H    5.050900       1.034900      0.8087000    
 H   -5.150200      0.5979000      0.8851000    
 H   -5.060900       1.033900     -0.8080000    
 H    7.339600      0.1510000       1.179500    
 H    7.435900     -0.3570000     -0.5040000    
 H   -7.349500      0.1495000      -1.181000    
 H   -7.446000     -0.3610000      0.5017000    
 H    5.306300      -1.840400     -0.2426000    
 H    5.159300      -1.387000       1.452700    
 H   -5.307900      -1.844100      0.2412000    
 H   -5.160600      -1.387200      -1.456900    
 H    7.065800       2.543000      0.4021000    
 H    7.260800       1.998900      -1.265500    
 H   -7.077900       2.540600     -0.4002000    
 H   -7.273100       1.994000       1.266600    
 H    9.534500       1.107500     -0.7152000    
 H    9.334700       1.608500      0.9654000    
 H   -9.545800       1.101600      0.7144000    
 H   -9.345800       1.605100     -0.9654000    
 H    3.222300     -0.5313000       2.295900    
 H   -3.565400      -1.619900       1.695900    
 H    3.575300      -1.617100      -1.697900    
 H   -3.212100     -0.5288000      -2.294500    
 H   0.7493000     -0.4884000       2.165700    
 H   -1.107100      -1.669900       2.001200    
 H    1.118000      -1.667200      -2.001800    
 H  -0.7380000     -0.4852000      -2.164500    
 H    9.352800       3.496000      -1.448000    
 H    9.153700       3.995100      0.2435000    
 H    10.67530       3.261600     -0.2920000    
 H   -9.366200       3.489400       1.450500    
 H   -9.167000       3.990700     -0.2402000    
 H   -10.68820       3.255400      0.2938000    


%chk=000041852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041852

2 1
N 3.564839 -1.089571 0.223752
N -3.566965 -1.092747 -0.222460
C 5.630700 0.366315 0.023497
C -5.633817 0.361715 -0.022789
C 7.176606 0.372392 0.120459
C -7.179633 0.366906 -0.120706
C 5.073388 -1.050065 0.307003
C -5.075399 -1.054376 -0.305982
C 7.764403 1.780516 -0.140034
C -7.768315 1.774743 0.139383
C 9.310344 1.797647 -0.047572
C -9.314197 1.791166 0.045708
C 0.742374 -1.051260 0.045244
C -0.744478 -1.052001 -0.043899
C 2.810766 -0.756832 1.324660
C -2.949153 -1.400960 0.966598
C 2.947541 -1.390285 -0.967509
C -2.813334 -0.751444 -1.321132
C 1.412583 -0.734219 1.260039
C -1.553336 -1.387451 1.077851
C 1.551742 -1.377895 -1.078778
C -1.415222 -0.727530 -1.256475
C 9.896304 3.201909 -0.305698
C -9.900969 3.195156 0.303479
H 5.320826 0.698369 -0.987019
H 5.211267 1.088521 0.751928
H -5.324619 0.693869 0.987879
H -5.214402 1.084207 -0.750986
H 7.491678 0.025864 1.125639
H 7.602725 -0.342189 -0.612436
H -7.493909 0.020131 -1.126053
H -7.605838 -0.347824 0.611984
H 5.465003 -1.779425 -0.422724
H 5.358131 -1.387863 1.318652
H -5.466736 -1.783725 0.423869
H -5.359857 -1.392563 -1.317606
H 7.347895 2.500858 0.593484
H 7.456674 2.135223 -1.144956
H -7.351575 2.495309 -0.593790
H -7.461537 2.129557 1.144551
H 9.729731 1.079531 -0.780298
H 9.621720 1.443240 0.955348
H -9.733825 1.072820 0.778069
H -9.624616 1.436669 -0.957475
H 3.357300 -0.516957 2.239155
H -3.599059 -1.667220 1.802774
H 3.597897 -1.649946 -1.805416
H -3.360286 -0.505999 -2.233902
H 0.864765 -0.443695 2.160026
H -1.115352 -1.677903 2.036194
H 1.114189 -1.662360 -2.039107
H -0.867850 -0.430143 -2.154490
H 9.630338 3.569728 -1.313934
H 9.523985 3.935476 0.433024
H 10.998282 3.186698 -0.235464
H -9.635903 3.563015 1.311934
H -9.528426 3.928934 -0.434921
H -11.002889 3.179467 0.232426


