%chk=000045754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045754

2 1
 O   -1.127400      0.1276000     -0.1427000    
 N    3.710500      8.1299998E-02  1.3200000E-02
 N   -4.827000     -0.3219000      5.2200001E-02
 C    2.491500     -0.6333000      0.4626000    
 C    4.976400     -0.6326000      0.5083000    
 C    3.732000       1.518100      0.5542000    
 C    3.770800      0.1490000      -1.519500    
 C    1.265500      0.1045000     -4.7499999E-02
 C   -3.510600      0.3294000     -0.3467000    
 C  -1.7500000E-02 -0.6127000      0.3469000    
 C    5.023200      -2.027100     -7.7100001E-02
 C    3.673400       1.482400       2.065700    
 C    5.045900      0.8479000      -1.937700    
 C   -5.942400      0.1986000     -0.8428000    
 C   -2.359700     -0.4950000      0.1957000    
 C   -5.140800      1.5799999E-02   1.502600    
 C   -4.713900      -1.831600     -0.1043000    
 C   -6.049900       1.699400     -0.6831000    
 H    2.478000      -1.629300      9.6000005E-03
 H    2.495800     -0.7691000       1.548000    
 H    5.869100     -3.6200002E-02  0.3054000    
 H    4.896100     -0.7498000       1.593100    
 H    4.687200       1.981000      0.2938000    
 H    2.933900       2.110500      0.1000000    
 H    3.655000     -0.8501000      -1.947500    
 H    2.945400      0.7705000      -1.876400    
 H    1.233700      0.1914000      -1.136600    
 H    1.186600       1.120300      0.3508000    
 H   -3.468200       1.353200      4.0899999E-02
 H   -3.458100      0.3696000      -1.441600    
 H  -2.9899999E-02  -1.622000     -8.1400000E-02
 H  -8.2000002E-02 -0.6912000       1.438700    
 H    5.919200      -2.525900      0.3143000    
 H    5.134000      -2.052900      -1.163200    
 H    4.189600      -2.666900      0.2200000    
 H    3.703200       2.517800       2.428800    
 H    4.525200      0.9902000       2.539200    
 H    2.744300       1.066600       2.462200    
 H    5.119700       1.892100      -1.628500    
 H    5.964000      0.3172000      -1.678600    
 H    5.051600      0.8870000      -3.035400    
 H   -6.874600     -0.2966000     -0.5484000    
 H   -5.703400     -7.7500001E-02  -1.876000    
 H   -2.412800     -0.5877000       1.285500    
 H   -2.324100      -1.492300     -0.2522000    
 H   -4.989400       1.083000       1.683500    
 H   -6.175100     -0.2749000       1.711300    
 H   -4.470300     -0.5526000       2.153800    
 H   -4.343400      -2.059000      -1.108600    
 H   -4.082900      -2.255700      0.6818000    
 H   -5.718900      -2.252100      1.1100000E-02
 H   -6.341200       2.010500      0.3233000    
 H   -5.147100       2.238600     -0.9799000    
 H   -6.844900       2.060400      -1.347000    


%chk=000045754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045754

2 1
O -1.197152 -0.191868 -0.014905
N 3.812276 0.154217 -0.031085
N -4.974795 -0.365564 0.076502
C 2.543262 -0.645826 0.348759
C 5.050469 -0.565817 0.584264
C 3.756968 1.604927 0.526676
C 3.925460 0.217685 -1.582846
C 1.199957 -0.007573 -0.057538
C -3.521524 -0.010688 -0.287970
C 0.028442 -0.895005 0.405133
C 5.354874 -1.962726 0.030264
C 3.516217 1.727717 2.036069
C 5.204564 0.863177 -2.129214
C -5.942989 0.503974 -0.795884
C -2.432638 -0.884626 0.364981
C -5.251028 -0.114981 1.559357
C -5.270468 -1.831634 -0.246987
C -5.820625 2.018407 -0.610611
H 2.655382 -1.634053 -0.128668
H 2.587531 -0.792456 1.441771
H 5.904217 0.111945 0.421480
H 4.860687 -0.615762 1.668805
H 4.721003 2.065184 0.257670
H 2.967291 2.123794 -0.042103
H 3.831380 -0.823022 -1.935386
H 3.040889 0.778055 -1.928062
H 1.117510 0.112166 -1.151866
H 1.065876 0.988067 0.400383
H -3.352696 1.035312 0.011790
H -3.437626 -0.076926 -1.385921
H 0.069518 -1.899463 -0.068394
H 0.032016 -1.023803 1.509190
H 6.253327 -2.335100 0.553771
H 5.593224 -1.962361 -1.045920
H 4.554362 -2.696306 0.222387
H 3.490183 2.804349 2.280852
H 4.324229 1.288322 2.643267
H 2.551531 1.302220 2.360105
H 5.305691 1.927348 -1.861157
H 6.122694 0.329524 -1.834319
H 5.152031 0.820001 -3.231673
H -6.957807 0.157523 -0.533295
H -5.738296 0.213593 -1.841313
H -2.528294 -0.922788 1.471014
H -2.432471 -1.920910 -0.031804
H -4.937646 0.904103 1.825515
H -6.329770 -0.232960 1.743891
H -4.697065 -0.846399 2.165581
H -5.037752 -2.022380 -1.305794
H -4.665760 -2.485584 0.397664
H -6.337731 -2.027077 -0.061966
H -6.041413 2.349941 0.417372
H -4.843610 2.420491 -0.924580
H -6.578601 2.489521 -1.261456


