%chk=000029427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029427

0 1
 O   0.4964000      -1.423100      0.7092000    
 N  -0.8719000      0.3842000      0.2581000    
 N    1.387100      0.6136000     -4.5200001E-02
 C   -2.122500     -0.2667000      0.5968000    
 C   -3.092800      0.7321000       1.238200    
 C   -2.646000      -1.029000     -0.6258000    
 C   -3.916900       1.559100      0.2524000    
 C   -4.116700      -1.432200     -0.5639000    
 C   -5.215400      0.8657000     -0.1569000    
 C   -5.049600     -0.3373000      -1.079200    
 C   0.3654000     -0.2579000      0.3422000    
 C    2.776100      0.3526000     -0.1008000    
 C    3.638600       1.355100     -0.5138000    
 C    3.246200     -0.8998000      0.2598000    
 C    5.008500       1.098100     -0.5682000    
 C    4.616200      -1.156700      0.2055000    
 C    5.497200     -0.1577000     -0.2085000    
 H   -1.890400      -1.009600       1.371800    
 H   -2.521000       1.419200       1.876400    
 H   -3.768800      0.1952000       1.916000    
 H   -2.042400      -1.940600     -0.7342000    
 H   -2.461100     -0.4541000      -1.543100    
 H   -3.327600       1.839900     -0.6276000    
 H   -4.193600       2.496000      0.7526000    
 H   -4.401000      -1.752000      0.4449000    
 H   -4.250500      -2.305500      -1.215200    
 H   -5.851600       1.598600     -0.6690000    
 H   -5.767900      0.5605000      0.7406000    
 H   -6.041900     -0.7773000      -1.240200    
 H   -4.707100      4.9999999E-03  -2.063800    
 H  -0.9057000       1.322700     -0.1279000    
 H    1.106100       1.551300     -0.3209000    
 H    3.268500       2.336800     -0.7961000    
 H    2.630300      -1.723200      0.5898000    
 H    5.694700       1.875900     -0.8905000    
 H    4.998400      -2.134200      0.4853000    
 H    6.563900     -0.3578000     -0.2508000    


%chk=000029427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029427

0 1
O 0.478918 -1.346476 0.794697
N -0.871162 0.490803 0.291234
N 1.449058 0.672521 0.023417
C -2.133229 -0.216594 0.619593
C -3.154859 0.777060 1.233714
C -2.642057 -0.999991 -0.627040
C -4.027922 1.581800 0.233494
C -4.118217 -1.469965 -0.569524
C -5.321946 0.835516 -0.184243
C -5.124225 -0.407682 -1.085023
C 0.363180 -0.147828 0.392058
C 2.824653 0.322711 -0.053947
C 3.732953 1.340967 -0.457614
C 3.319701 -0.976102 0.244883
C 5.111616 1.068322 -0.564442
C 4.703227 -1.231679 0.130376
C 5.608961 -0.223016 -0.271796
H -1.855728 -0.953609 1.395567
H -2.590634 1.462622 1.895958
H -3.837243 0.210406 1.896694
H -1.964273 -1.863725 -0.760625
H -2.512601 -0.363498 -1.526656
H -3.445117 1.859201 -0.670650
H -4.323293 2.536584 0.711852
H -4.384431 -1.784836 0.460309
H -4.223395 -2.373922 -1.200936
H -5.995900 1.542184 -0.709877
H -5.852282 0.532573 0.742885
H -6.113644 -0.886140 -1.233597
H -4.786309 -0.077913 -2.089850
H -0.953136 1.401365 -0.165713
H 1.240724 1.647459 -0.202469
H 3.357652 2.347316 -0.688521
H 2.621171 -1.751885 0.562747
H 5.795891 1.865361 -0.876615
H 5.075222 -2.236370 0.362100
H 6.679877 -0.436640 -0.354440


