%chk=000058940.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058940

0 1
 N    2.284500      0.2300000     -0.4840000    
 N   -3.373600       1.643800      0.2655000    
 C    3.658800      -1.781900     -0.3586000    
 C    3.859600      -3.240500     -9.8399997E-02
 C    4.437100      -2.221800      0.8400000    
 C    2.299300      -1.193900     -0.1606000    
 C   0.9240000      0.7985000     -0.5350000    
 C    3.196700      0.9784000      0.3880000    
 C   0.9940000       2.267900     -0.9934000    
 C    3.303100       2.441400     -4.3000001E-02
 C    1.934600       3.104800     -0.1316000    
 C   0.1091000      0.6650000      0.7609000    
 C   -1.358700      0.7850000      0.5141000    
 C   -2.242000     -0.2783000      0.2193000    
 C   -2.068000       1.952700      0.5382000    
 C   -3.509200      0.2883000      6.6399999E-02
 C   -2.099000      -1.671600      6.4999998E-02
 C   -4.645100     -0.4717000     -0.2343000    
 C   -3.226400      -2.444500     -0.2358000    
 C   -4.479000      -1.851700     -0.3827000    
 H    4.186500      -1.382300      -1.217200    
 H    4.546000      -3.779700     -0.7399000    
 H    3.019400      -3.827800      0.2512000    
 H    3.990700      -2.133000       1.822600    
 H    5.509900      -2.072500      0.8250000    
 H    1.959000      -1.389700      0.8621000    
 H    1.613200      -1.721100     -0.8352000    
 H   0.3923000      0.2595000      -1.332200    
 H    4.213500      0.5730000      0.3495000    
 H    2.870700      0.9239000       1.434500    
 H   6.8000001E-03   2.736400      -1.028600    
 H    1.365300       2.290500      -2.027700    
 H    3.797600       2.498000      -1.021300    
 H    3.934700       2.991300      0.6640000    
 H    1.518600       3.238900      0.8729000    
 H    2.038400       4.106600     -0.5638000    
 H   0.4200000       1.401600       1.510900    
 H   0.2657000     -0.3062000       1.240000    
 H   -1.775100       2.976000      0.7278000    
 H   -4.129300       2.313200      0.2181000    
 H   -1.129800      -2.149900      0.1744000    
 H   -5.620500     -1.1100000E-02 -0.3489000    
 H   -3.122000      -3.519500     -0.3564000    
 H   -5.341200      -2.470900     -0.6165000    


%chk=000058940-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058940

0 1
N 2.287062 0.141045 -0.312374
N -3.519729 1.697506 0.625636
C 3.711776 -1.922198 -0.338793
C 4.072511 -3.309876 0.212340
C 4.858077 -2.073942 0.677073
C 2.381761 -1.288338 0.056745
C 0.892475 0.650929 -0.435833
C 3.201941 1.030163 0.440903
C 0.913082 2.057847 -1.083212
C 3.262173 2.429877 -0.204694
C 1.847166 3.037077 -0.333711
C 0.074207 0.635070 0.915744
C -1.409612 0.802826 0.711664
C -2.324963 -0.196385 0.177378
C -2.178663 1.937789 0.972141
C -3.639499 0.392860 0.134846
C -2.163201 -1.539280 -0.258405
C -4.771997 -0.312831 -0.329012
C -3.287989 -2.249519 -0.720589
C -4.578841 -1.641979 -0.757596
H 4.002079 -1.711948 -1.374649
H 4.567061 -4.022579 -0.453612
H 3.379867 -3.769150 0.926156
H 4.682988 -1.718928 1.698457
H 5.887296 -1.950757 0.326872
H 2.219760 -1.469222 1.152743
H 1.564444 -1.816646 -0.475779
H 0.367630 -0.033536 -1.132501
H 4.205533 0.571009 0.432870
H 2.901158 1.130762 1.516961
H -0.119602 2.451472 -1.124753
H 1.271295 1.950293 -2.125321
H 3.712703 2.334469 -1.211896
H 3.918910 3.087361 0.397949
H 1.445220 3.255382 0.677195
H 1.888232 4.004317 -0.870400
H 0.453301 1.423860 1.591546
H 0.263705 -0.332310 1.422790
H -1.871110 2.897639 1.384519
H -4.282446 2.362811 0.726369
H -1.178039 -2.019673 -0.231653
H -5.766282 0.147547 -0.356337
H -3.176381 -3.285879 -1.058582
H -5.434861 -2.219837 -1.123893


