%chk=000023446.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023446

0 1
 O   -4.100100       1.429900      0.9256000    
 N   -2.170100     -0.1035000     -0.4974000    
 N    1.163200      -3.085100      0.3461000    
 N    2.567800       2.239500     -0.1819000    
 C   -1.695600      -1.342300      -1.110900    
 C   -2.383100     -0.2842000      0.9454000    
 C   -3.412100      0.3528000      -1.136400    
 C  -0.3919000      -1.800600     -0.5133000    
 C   0.7196000     -0.9812000     -0.2485000    
 C   -2.889900       1.016800       1.561200    
 C   -3.893500       1.639400     -0.4719000    
 C    1.696500      -1.816900      0.2971000    
 C  -0.1136000      -3.080100     -0.1483000    
 C    1.011900      0.3875000     -0.4109000    
 C    2.267400      0.8685000     -2.2100000E-02
 C    2.955900      -1.350300      0.6898000    
 C    3.223000      1.1200000E-02  0.5196000    
 C    3.930400       2.666900     -0.4230000    
 C    1.514200       3.231500     -0.1202000    
 H   -1.525300      -1.181400      -2.183600    
 H   -2.447100      -2.138400      -1.021300    
 H   -1.465700     -0.5567000       1.476000    
 H   -3.121400      -1.077900       1.121900    
 H   -4.190800     -0.4160000      -1.048600    
 H   -3.243000      0.5453000      -2.202100    
 H   -3.107900      0.8667000       2.623500    
 H   -2.143900       1.817600       1.485400    
 H   -3.181400       2.460900     -0.6176000    
 H   -4.849300       1.948600     -0.9068000    
 H  -0.6920000      -3.992400     -0.1884000    
 H    1.645200      -3.901400      0.6965000    
 H   0.2714000       1.043500     -0.8565000    
 H    3.699200      -2.016700       1.114300    
 H    4.197200      0.3741000      0.8377000    
 H    4.437400       2.009700      -1.138600    
 H    4.501700       2.690300      0.5109000    
 H    3.958000       3.676000     -0.8496000    
 H   0.8030000       3.014400      0.6850000    
 H   0.9742000       3.284900      -1.071400    
 H    1.922400       4.228100      8.2500003E-02


%chk=000023446-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023446

0 1
O -4.237472 1.480326 1.052548
N -2.290756 -0.126364 -0.379579
N 1.238477 -3.147593 0.299901
N 2.652987 2.270723 -0.254437
C -1.728752 -1.320343 -1.070885
C -2.560630 -0.356585 1.060980
C -3.504523 0.390289 -1.057272
C -0.416686 -1.779664 -0.490330
C 0.775882 -0.975630 -0.263315
C -3.028844 0.952380 1.713591
C -3.965306 1.691015 -0.378372
C 1.795383 -1.858772 0.231002
C -0.092471 -3.089872 -0.131195
C 1.052505 0.404936 -0.426615
C 2.348268 0.902997 -0.109027
C 3.084051 -1.384499 0.549187
C 3.351227 -0.014399 0.375235
C 3.992938 2.770258 0.059950
C 1.627066 3.187875 -0.753907
H -1.592756 -1.029067 -2.133297
H -2.452906 -2.177010 -1.063370
H -1.630597 -0.704270 1.545507
H -3.343913 -1.144006 1.209062
H -4.342841 -0.353000 -1.027670
H -3.267129 0.592706 -2.119931
H -3.316422 0.795788 2.766376
H -2.212337 1.704579 1.655096
H -3.178122 2.467419 -0.499236
H -4.913865 2.053409 -0.808965
H -0.714468 -3.983376 -0.159578
H 1.721794 -3.984475 0.615737
H 0.250030 1.060814 -0.770414
H 3.868547 -2.051632 0.924731
H 4.350478 0.354247 0.622329
H 4.776583 2.297358 -0.569641
H 4.264946 2.597131 1.122755
H 4.029711 3.856858 -0.120494
H 0.731642 3.203341 -0.097155
H 1.285679 2.914020 -1.775150
H 2.034501 4.211085 -0.794950


