%chk=000036995.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036995

0 1
 O   2.6699999E-02   2.038100       1.759600    
 N   0.4823000     -0.1961000       1.156900    
 N   -3.117600       1.197100      -1.241300    
 C   -1.678700      0.6500000      0.6507000    
 C   -1.513300     -0.7859000      0.2174000    
 C   -1.930400       1.576600     -0.5384000    
 C  -0.2955000      0.9648000       1.269700    
 C  -0.2300000      -1.231200      0.5379000    
 C   -2.763400      0.7997000       1.717200    
 C    1.844900     -0.3349000       1.613500    
 C   -2.417800      -1.629600     -0.4066000    
 C   0.1894000      -2.518900      0.2495000    
 C   -2.011600      -2.932600     -0.7052000    
 C  -0.7181000      -3.373300     -0.3798000    
 C    2.774100      5.5000000E-02  0.5029000    
 C   -3.373600       2.082300      -2.391500    
 C   -4.296300       1.199000     -0.3566000    
 C    3.214900     -0.9091000     -0.3976000    
 C    3.187200       1.377600      0.3819000    
 C    4.078900     -0.5465000      -1.430800    
 C    4.051200       1.740100     -0.6515000    
 C    4.497100      0.7779000      -1.557800    
 H   -1.068700       1.527000      -1.219400    
 H   -1.978300       2.619900     -0.1948000    
 H   -3.129000       1.824000       1.836000    
 H   -3.559300      5.3700000E-02   1.722600    
 H   -2.296100      0.6061000       2.697000    
 H    2.039900      -1.349700       1.977000    
 H    1.994500      0.3328000       2.471100    
 H   -3.426500      -1.345000     -0.6658000    
 H    1.166200      -2.895700      0.5219000    
 H   -2.703800      -3.615800      -1.190200    
 H  -0.4256000      -4.393700     -0.6128000    
 H   -2.512100       2.085000      -3.068600    
 H   -3.571200       3.114000      -2.078600    
 H   -4.227100       1.721500      -2.976100    
 H   -5.193300       1.259600     -0.9933000    
 H   -4.383400       2.089600      0.2729000    
 H   -4.497900      0.2584000      0.1473000    
 H    2.930700      -1.950400     -0.3060000    
 H    2.849100       2.136700       1.081700    
 H    4.431700      -1.296700      -2.132500    
 H    4.377400       2.771300     -0.7502000    
 H    5.171200       1.060000      -2.361300    


%chk=000036995-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036995

0 1
O -0.122365 1.744901 2.247023
N 0.447250 -0.280129 1.160991
N -3.434575 1.491368 -0.766571
C -1.824199 0.440641 0.920838
C -1.583025 -0.887379 0.217031
C -2.128698 1.615780 -0.091649
C -0.438722 0.742826 1.546100
C -0.217759 -1.257863 0.370683
C -2.918280 0.376606 2.010807
C 1.859657 -0.312241 1.571133
C -2.455906 -1.725062 -0.493821
C 0.304366 -2.439027 -0.187449
C -1.950928 -2.926200 -1.060074
C -0.587478 -3.272562 -0.909381
C 2.832639 0.048528 0.450149
C -3.356886 1.266134 -2.222984
C -4.422427 2.523415 -0.396787
C 3.857500 -0.845890 0.058850
C 2.729720 1.305957 -0.198358
C 4.766626 -0.495035 -0.966442
C 3.634070 1.657475 -1.223036
C 4.655364 0.757215 -1.611607
H -1.310022 1.648951 -0.839134
H -2.070532 2.557398 0.492065
H -2.912816 1.305158 2.610120
H -3.902782 0.258393 1.525588
H -2.755974 -0.477739 2.690894
H 2.093969 -1.313760 1.978566
H 1.940195 0.422948 2.394360
H -3.508309 -1.445659 -0.608421
H 1.360054 -2.707555 -0.084459
H -2.621007 -3.589357 -1.617840
H -0.210404 -4.199542 -1.356034
H -2.671493 0.429166 -2.436792
H -3.001417 2.162623 -2.790281
H -4.355759 0.994582 -2.611925
H -5.416390 2.245938 -0.794030
H -4.168863 3.539950 -0.789502
H -4.504810 2.593998 0.700968
H 3.950203 -1.818441 0.559977
H 1.947037 2.008550 0.112011
H 5.555731 -1.196054 -1.261001
H 3.548718 2.632751 -1.715530
H 5.357525 1.030941 -2.407048


