%chk=000048696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048696

2 1
 N    3.716900     -9.5799997E-02 -0.2401000    
 N   -3.726300      0.1013000     -0.2430000    
 C    2.530100     -6.8999998E-02  0.6483000    
 C   -2.536300      0.1057000      0.6400000    
 C    1.269900     -4.3299999E-02 -0.2039000    
 C   -1.255800      2.1600001E-02 -0.1815000    
 C   1.6500000E-02  3.1700000E-02  0.6708000    
 C    5.013000     -0.1554000      0.5810000    
 C    3.768600       1.160900      -1.120600    
 C   -5.021000      0.1210000      0.5827000    
 C   -3.746200      -1.153700      -1.128100    
 C    3.681300      -1.322600      -1.162700    
 C   -3.730400       1.331400      -1.162500    
 C    5.026400      -1.428000       1.399200    
 C    3.804500       2.388000     -0.2362000    
 C   -5.068600       1.390600       1.404400    
 C   -3.742600      -2.384300     -0.2478000    
 H    2.593400      0.7615000       1.357200    
 H    2.504000     -0.9920000       1.236200    
 H   -2.508100       1.053500       1.188000    
 H   -2.610400     -0.6919000       1.385900    
 H    1.184900     -0.9408000     -0.8252000    
 H    1.231600      0.8250000     -0.8659000    
 H   -1.186600      0.8569000     -0.8863000    
 H   -1.217200     -0.9018000     -0.7662000    
 H   4.4100001E-02  0.9450000       1.277500    
 H  -3.5999999E-03 -0.8179000       1.364200    
 H    5.862600     -0.1112000     -0.1090000    
 H    5.045600      0.6925000       1.268700    
 H    4.688400       1.097600      -1.715200    
 H    2.933500       1.168800      -1.825200    
 H   -5.871500      5.4099999E-02 -0.1044000    
 H   -5.026200     -0.7307000       1.266800    
 H   -2.910600      -1.131000      -1.832500    
 H   -4.668300      -1.114800      -1.721200    
 H    4.684600      -1.481900      -1.570600    
 H    2.997100      -1.126400      -1.994000    
 H    3.341900      -2.197300     -0.6012000    
 H   -4.735600       1.454400      -1.578000    
 H   -3.029500       1.163200      -1.985600    
 H   -3.425800       2.215800     -0.5964000    
 H    5.983300      -1.481700       1.933300    
 H    4.969100      -2.341700      0.8033000    
 H    4.258700      -1.454200       2.176400    
 H    3.858700       3.269000     -0.8886000    
 H    4.683200       2.458300      0.4071000    
 H    2.900500       2.529800      0.3604000    
 H   -6.015100       1.406100       1.958700    
 H   -5.060600       2.305400      0.8071000    
 H   -4.284200       1.447700       2.163200    
 H   -3.746600      -3.265400     -0.9020000    
 H   -4.631500      -2.490700      0.3770000    
 H   -2.847900      -2.488200      0.3702000    


%chk=000048696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048696

2 1
N 3.899813 -0.177122 -0.194866
N -3.900252 0.175036 -0.199251
C 2.531899 -0.047662 0.515962
C -2.533122 0.046228 0.513183
C 1.289900 -0.042991 -0.399487
C -1.290120 0.041441 -0.400905
C -0.000586 -0.000659 0.465440
C 5.039815 -0.039130 0.863463
C 4.096165 0.924102 -1.279425
C -5.041508 0.036678 0.857669
C -4.094865 -0.926371 -1.283949
C 4.015814 -1.531371 -0.892152
C -4.016033 1.529189 -0.896765
C 5.121856 -1.161510 1.903986
C 4.027443 2.370330 -0.778876
C -5.125032 1.158978 1.898149
C -4.025655 -2.372539 -0.783316
H 2.577937 0.882849 1.107429
H 2.478896 -0.893595 1.222125
H -2.481071 0.892486 1.219025
H -2.579601 -0.884037 1.105010
H 1.264974 -0.947437 -1.036140
H 1.301398 0.836297 -1.070584
H -1.264548 0.945756 -1.037717
H -1.300844 -0.837984 -1.071840
H 0.027156 0.888417 1.126895
H -0.029022 -0.889591 1.127066
H 5.975490 0.018799 0.280062
H 4.879576 0.933344 1.356043
H 5.080601 0.714023 -1.733275
H 3.328267 0.736693 -2.048416
H -5.976430 -0.021395 0.273084
H -4.881662 -0.935797 1.350381
H -3.326351 -0.738485 -2.052211
H -5.079005 -0.716935 -1.738731
H 5.053928 -1.668815 -1.231899
H 3.345019 -1.555939 -1.763143
H 3.747726 -2.334624 -0.191548
H -5.053741 1.666035 -1.237991
H -3.344010 1.554110 -1.766797
H -3.749395 2.332633 -0.195827
H 5.960642 -0.918439 2.580137
H 5.347112 -2.147242 1.465960
H 4.222505 -1.240168 2.537378
H 4.157477 3.030866 -1.654355
H 4.832321 2.625836 -0.071187
H 3.054944 2.628035 -0.325531
H -5.964620 0.915709 2.573236
H -5.349904 2.144711 1.459918
H -4.226481 1.237706 2.532654
H -4.155118 -3.033158 -1.658817
H -4.830628 -2.628439 -0.075873
H -3.053169 -2.629752 -0.329681


