%chk=000094632.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094632

1 1
 O    2.198300       1.674200       1.226600    
 N   -5.360700     -0.6957000     -0.8148000    
 N    2.940900     -0.3995000      0.3485000    
 N    2.473000      -1.694700      0.2925000    
 N  -0.2576000      6.1099999E-02  0.7370000    
 N   -1.199700      0.3403000       1.514600    
 C   -4.376300      0.2654000     -0.3692000    
 C   -5.497600     -0.7027000      -2.364000    
 C   -6.765300     -0.4011000     -0.2152000    
 C   -5.060200      -2.178300     -0.4288000    
 C   -3.264000     -0.1605000      0.3569000    
 C   -4.539200       1.618800     -0.6655000    
 C   0.9253000     -0.3866000       1.450300    
 C   -2.320100      0.7690000      0.7832000    
 C   -3.589900       2.546100     -0.2360000    
 C    1.334800      -1.714800      0.9104000    
 C    2.077900      0.4770000       1.027900    
 C   -2.477800       2.120200      0.4901000    
 C    4.150600     -8.4899999E-02 -0.2497000    
 C   0.5053000      -2.939900       1.084200    
 C    4.635200       1.227800     -0.2169000    
 C    4.900800      -1.076700     -0.8923000    
 C    5.853000       1.544500     -0.8187000    
 C    6.118700     -0.7598000      -1.493900    
 C    6.594800      0.5508000      -1.457100    
 H   -5.860800      0.2745000      -2.693200    
 H   -4.512800     -0.9203000      -2.788800    
 H   -6.218900      -1.476700      -2.643700    
 H   -7.107000      0.5734000     -0.5745000    
 H   -7.455300      -1.180900     -0.5519000    
 H   -6.675000     -0.4086000      0.8753000    
 H   -5.868400      -2.804700     -0.8210000    
 H   -4.114000      -2.475000     -0.8919000    
 H   -5.037300      -2.257800      0.6625000    
 H   -3.087500      -1.198800      0.6165000    
 H   -5.394100       1.983000      -1.227900    
 H   0.8393000     -0.4185000       2.541200    
 H   -3.716600       3.599900     -0.4663000    
 H   -1.743400       2.849500      0.8214000    
 H   0.3084000      -3.096600       2.147800    
 H    1.026600      -3.812600      0.6824000    
 H  -0.4448000      -2.816600      0.5580000    
 H    4.120400       2.051800      0.2577000    
 H    4.565300      -2.109300     -0.9426000    
 H    6.225000       2.564700     -0.7907000    
 H    6.696900      -1.533200      -1.991000    
 H    7.543100      0.7974000      -1.925500    


%chk=000094632-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094632

1 1
O 1.372956 0.588650 1.326570
N -5.944898 0.128047 0.078098
N 3.161264 -0.554871 0.207526
N 3.318203 -1.766783 -0.549164
N -0.051448 -1.199721 -0.698360
N -1.175002 -1.171787 -0.039929
C -4.635838 -0.041160 -0.700320
C -7.047968 -0.715992 -0.577585
C -6.352786 1.609754 0.074723
C -5.822276 -0.317511 1.535579
C -3.485576 -0.539975 -0.067847
C -4.616723 0.327019 -2.065892
C 1.064478 -1.628557 0.155536
C -2.285400 -0.664042 -0.811910
C -3.413544 0.191393 -2.796230
C 2.149598 -2.371699 -0.610109
C 1.851131 -0.358526 0.658326
C -2.244831 -0.297236 -2.180895
C 4.321499 0.261023 0.430750
C 1.949774 -3.651583 -1.357022
C 4.215964 1.482732 1.145164
C 5.572772 -0.174783 -0.075398
C 5.375124 2.262367 1.344015
C 6.717440 0.619964 0.134940
C 6.627848 1.840501 0.843891
H -7.194341 -0.387167 -1.615062
H -6.735158 -1.770386 -0.566193
H -7.981093 -0.584358 -0.008054
H -6.509406 1.944611 -0.959507
H -7.284069 1.722741 0.651277
H -5.542320 2.195716 0.532455
H -6.800551 -0.173177 2.018388
H -5.545624 -1.380752 1.573036
H -5.065403 0.294653 2.046230
H -3.436531 -0.837252 0.982069
H -5.502031 0.716353 -2.579196
H 0.708817 -2.176774 1.052432
H -3.398217 0.477623 -3.852227
H -1.303794 -0.394134 -2.729849
H 1.574891 -4.449978 -0.689298
H 2.897667 -3.984475 -1.807883
H 1.200423 -3.518958 -2.159947
H 3.252114 1.811322 1.539372
H 5.633875 -1.116978 -0.623518
H 5.294239 3.204363 1.896746
H 7.682589 0.282398 -0.257213
H 7.521462 2.451986 1.005388


