%chk=000040578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040578

0 1
 O    6.221800      0.5490000     -0.7581000    
 N   -1.995800      0.7192000      0.3314000    
 N    4.076800     -0.3740000     -0.8510000    
 C  -0.6230000      0.7688000      0.3906000    
 C  -0.1539000     -0.5299000      0.1911000    
 C   -2.429200     -0.5650000      9.9900000E-02
 C   -1.295800      -1.373000      7.6000001E-03
 C   -2.868400       1.865700      0.4903000    
 C    2.104800      0.3253000      0.4167000    
 C    1.238900     -0.7536000      0.2051000    
 C   0.2303000       1.857400      0.6039000    
 C    3.579400      9.3400002E-02  0.4313000    
 C   -3.161400       2.553500     -0.8413000    
 C    1.605700       1.610700      0.6129000    
 C   -3.729100      -1.066400     -3.2800000E-02
 C   -1.468700      -2.753000     -0.2294000    
 C   -3.874600      -2.436400     -0.2672000    
 C   -2.762500      -3.269100     -0.3642000    
 C    4.031500     -0.8833000       1.526400    
 C   -4.067700       3.759100     -0.6539000    
 C    5.340900     -9.8300003E-02  -1.309300    
 H   -3.794300       1.529900      0.9700000    
 H   -2.398000       2.560400       1.194900    
 H    1.622300      -1.757800      4.7400001E-02
 H  -0.1457000       2.863800      0.7530000    
 H    4.088900       1.044100      0.6377000    
 H   -3.636900       1.848600      -1.533700    
 H   -2.225900       2.876200      -1.313900    
 H    2.280900       2.447800      0.7756000    
 H   -4.603100     -0.4279000      3.5999998E-02
 H  -0.6111000      -3.415400     -0.3079000    
 H   -4.871000      -2.856800     -0.3762000    
 H   -2.899200      -4.331700     -0.5471000    
 H    3.658400      -1.898300       1.349400    
 H    5.124800     -0.9441000       1.568300    
 H    3.674500     -0.5596000       2.510300    
 H   -5.027000       3.464100     -0.2169000    
 H   -4.266300       4.237700      -1.618000    
 H   -3.603000       4.500300      4.1000000E-03
 H    3.477000     -0.9593000      -1.425800    
 H    5.501100     -0.5572000      -2.299100    


%chk=000040578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040578

0 1
O 6.338040 0.432952 -0.548976
N -2.049091 0.751599 0.386365
N 4.111754 -0.188622 -0.909851
C -0.643252 0.772735 0.439212
C -0.146783 -0.566589 0.261306
C -2.469208 -0.573525 0.152915
C -1.311013 -1.424739 0.079241
C -2.925685 1.926581 0.464824
C 2.139663 0.274400 0.487509
C 1.244740 -0.805365 0.291515
C 0.234696 1.859809 0.636951
C 3.652056 0.055405 0.489717
C -3.195783 2.586401 -0.910040
C 1.619461 1.591778 0.654680
C -3.776969 -1.085796 0.007832
C -1.478639 -2.811926 -0.138087
C -3.917294 -2.474026 -0.207952
C -2.783034 -3.330955 -0.280243
C 4.126604 -1.082987 1.425752
C -4.117058 3.817590 -0.781813
C 5.410728 0.031793 -1.310798
H -3.882328 1.620568 0.928742
H -2.465196 2.663282 1.149984
H 1.626464 -1.826869 0.176682
H -0.132658 2.882498 0.769244
H 4.155370 0.984749 0.817394
H -3.650997 1.838201 -1.586693
H -2.230735 2.879537 -1.365837
H 2.322271 2.420961 0.799802
H -4.659250 -0.439119 0.055853
H -0.609774 -3.477308 -0.194836
H -4.920511 -2.899478 -0.324060
H -2.928592 -4.403204 -0.449210
H 3.706865 -2.058863 1.123677
H 5.227224 -1.150571 1.395564
H 3.811799 -0.877640 2.464329
H -5.100513 3.542369 -0.356018
H -4.297003 4.281515 -1.767676
H -3.669885 4.587660 -0.125066
H 3.414633 -0.481238 -1.598746
H 5.565283 -0.178664 -2.395088


