%chk=000136428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136428

0 1
 O   6.3999998E-03   1.473700     -3.9999999E-04
 N   -1.156700     -0.5602000      1.9999999E-04
 N    1.153100     -0.5644000      3.0000001E-04
 C   -2.493400     -0.1605000      9.9999997E-05
 C    2.508300     -0.1575000      3.0000001E-04
 C   -4.844600     -0.7166000     -9.9999997E-05
 C    4.841300     -0.7164000     -9.9999997E-05
 C   -3.508600      -1.117300      1.9999999E-04
 C    3.505700      -1.118800     -9.9999997E-05
 C   -2.814600       1.197000     -5.0000002E-04
 C    2.809100       1.194700      7.9999998E-04
 C   -5.165700      0.6410000     -3.9999999E-04
 C    5.160700      0.6414000      1.9999999E-04
 C   7.1999999E-03  0.2468000       0.000000    
 C   -4.150800       1.597600     -5.0000002E-04
 C    4.144700       1.596900      5.0000002E-04
 C   -5.930100      -1.739500      6.9999998E-04
 C    5.928100      -1.738100     -1.1000000E-03
 H   -3.260300      -2.176400      2.4000001E-03
 H    3.255200      -2.176700     -2.3000001E-03
 H   -1.001200      -1.565200      5.0000002E-04
 H   0.9993000      -1.569600      1.9999999E-04
 H   -2.089300       1.997900     -6.0000003E-04
 H    2.084800       1.995200      1.2000001E-03
 H   -6.202700      0.9660000      1.4000000E-03
 H    6.197400      0.9677000     -1.9000000E-03
 H   -4.402200       2.654400     -3.0000001E-04
 H    4.394900       2.654000      3.0000001E-04
 H   -5.628700      -2.633900     -0.5553000    
 H   -6.172700      -2.028900       1.028000    
 H   -6.837400      -1.355800     -0.4782000    
 H    6.178800      -2.018700      -1.028900    
 H    6.831000      -1.356900      0.4880000    
 H    5.623800      -2.637500      0.5450000    


%chk=000136428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000136428

0 1
O -0.000734 1.545982 0.000436
N -1.166915 -0.506655 -0.001975
N 1.165030 -0.506662 0.002803
C -2.520876 -0.064994 -0.004570
C 2.519115 -0.064909 0.005090
C -4.899012 -0.745974 -0.013738
C 4.897236 -0.745683 0.013518
C -3.523988 -1.072692 -0.011178
C 3.522290 -1.072624 0.011475
C -2.899943 1.303402 -0.004881
C 2.897864 1.303496 0.005201
C -5.268606 0.623767 -0.019131
C 5.266531 0.624198 0.018717
C -0.000771 0.281814 0.000432
C -4.273389 1.625572 -0.012904
C 4.271326 1.625902 0.012775
C -5.953853 -1.839892 0.014120
C 5.952505 -1.839109 -0.014806
H -3.227371 -2.131958 -0.014890
H 3.225803 -2.131914 0.015297
H -1.054547 -1.522581 -0.002321
H 1.052933 -1.522624 0.003113
H -2.130799 2.076586 -0.002558
H 2.128484 2.076473 0.003102
H -6.329500 0.899632 -0.029191
H 6.327426 0.900183 0.028444
H -4.567403 2.681443 -0.018231
H 4.565237 2.681788 0.017979
H -5.614876 -2.748560 -0.514764
H -6.193863 -2.134078 1.054479
H -6.893912 -1.502171 -0.456098
H 6.200208 -2.125332 -1.055585
H 6.889093 -1.504641 0.464653
H 5.610076 -2.751787 0.504785


