%chk=000060382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060382

0 1
 N    2.991100      0.3213000      0.5480000    
 N   -1.211800      7.8800000E-02  0.2732000    
 C    2.926100      0.2914000     -0.9199000    
 C    4.382900      0.2888000       1.018800    
 C    3.673600       1.478300      -1.529900    
 C    5.178100       1.475400      0.4722000    
 C    5.119700       1.528300      -1.050300    
 C    2.232600     -0.7925000       1.116500    
 C   0.7892000     -0.7129000      0.7031000    
 C   8.6000003E-03  -1.788500      0.2399000    
 C   -1.257700      -1.264000     -2.7200000E-02
 C   3.6699999E-02  0.4203000      0.7197000    
 C   0.2356000      -3.160800      1.5100000E-02
 C   -2.271200      0.9809000      0.1464000    
 C   -2.312800      -2.046300     -0.5099000    
 C  -0.8105000      -3.955700     -0.4677000    
 C   -2.064300      -3.404900     -0.7254000    
 C   -2.003600       2.313100     -0.1350000    
 C   -3.574300      0.5308000      0.3037000    
 C   -3.061100       3.213800     -0.2620000    
 C   -4.631800       1.431500      0.1768000    
 C   -4.375200       2.773000     -0.1062000    
 H    1.900100      0.3524000      -1.296700    
 H    3.353200     -0.6439000      -1.306900    
 H    4.873500     -0.6487000      0.7252000    
 H    4.405600      0.3390000       2.114200    
 H    3.164800       2.412000      -1.258200    
 H    3.650900       1.408200      -2.623300    
 H    6.221500       1.404200      0.7997000    
 H    4.775800       2.408900      0.8860000    
 H    5.673600      0.6785000      -1.467700    
 H    5.605700       2.440200      -1.414100    
 H    2.265300     -0.7470000       2.213000    
 H    2.669000      -1.754300      0.8195000    
 H   0.2882000       1.424300       1.036900    
 H    1.205900      -3.608300      0.2093000    
 H   -3.275600      -1.663200     -0.8194000    
 H  -0.6398000      -5.013800     -0.6479000    
 H   -2.855400      -4.037100      -1.120800    
 H  -0.9964000       2.689900     -0.2876000    
 H   -3.834300     -0.4578000      0.6624000    
 H   -2.862000       4.257700     -0.4862000    
 H   -5.653500       1.096000      0.3297000    
 H   -5.198300       3.475500     -0.1988000    


%chk=000060382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060382

0 1
N 3.059522 0.217315 0.363466
N -1.279711 -0.020596 0.162404
C 3.208277 0.348657 -1.109548
C 4.373723 0.305101 1.049693
C 3.860756 1.695188 -1.482118
C 5.062489 1.651410 0.748454
C 5.225938 1.855263 -0.775154
C 2.305067 -1.003845 0.742926
C 0.830700 -0.896302 0.430911
C -0.085333 -1.985990 0.140634
C -1.399283 -1.417781 -0.026240
C 0.077757 0.270817 0.429904
C 0.089991 -3.386386 -0.015019
C -2.316287 0.961090 0.084773
C -2.513795 -2.210273 -0.381798
C -1.023701 -4.182150 -0.346071
C -2.309558 -3.597194 -0.535853
C -2.053361 2.213050 -0.529600
C -3.596941 0.709462 0.641622
C -3.060015 3.199942 -0.582132
C -4.602078 1.697307 0.569581
C -4.341582 2.946657 -0.039858
H 2.206750 0.262886 -1.567552
H 3.834107 -0.489575 -1.519623
H 5.054787 -0.530799 0.733554
H 4.205452 0.199106 2.138306
H 3.185218 2.516813 -1.173319
H 3.980345 1.754164 -2.581190
H 6.046424 1.682763 1.255158
H 4.442467 2.468022 1.166736
H 5.934601 1.098937 -1.172412
H 5.661744 2.849727 -0.988748
H 2.445989 -1.154140 1.832928
H 2.721594 -1.920471 0.248393
H 0.406262 1.285975 0.637458
H 1.078427 -3.841703 0.113445
H -3.501607 -1.773251 -0.553706
H -0.903627 -5.264215 -0.469976
H -3.156473 -4.235716 -0.811185
H -1.072285 2.399040 -0.979326
H -3.788595 -0.234754 1.160079
H -2.846607 4.162531 -1.059924
H -5.586262 1.494954 1.006599
H -5.123586 3.711767 -0.088470


