%chk=000042894.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042894

0 1
 N   -1.008300      0.9845000     -9.5100001E-02
 N    4.388300      0.5089000       1.094500    
 C    1.172300     -9.7400002E-02 -0.8765000    
 C  -0.2717000     -0.1153000     -0.4442000    
 C    1.523300      -1.501200      -1.465600    
 C   -1.070200      -1.232200     -0.2866000    
 C    2.069100      0.2048000      0.3381000    
 C   0.9426000      -2.670300     -0.6470000    
 C  -0.5926000      -2.613200     -0.5781000    
 C    1.417100      0.9658000      -1.960300    
 C   -2.347800     -0.7883000      0.1592000    
 C   -2.280200      0.6034000      0.2712000    
 C    3.538500      0.2541000     -3.5700001E-02
 C  -0.5501000       2.357800     -4.5899998E-02
 C   -3.559000      -1.434400      0.4800000    
 C   -3.366100       1.380100      0.6913000    
 C  -0.8069000       3.096500      -1.348100    
 C   -4.652900     -0.6694000      0.9003000    
 C   -4.555500      0.7164000       1.003900    
 C    5.805400      0.5560000      0.7008000    
 C    4.205100     -0.5066000       2.143800    
 H    2.592200      -1.657100      -1.622000    
 H    1.085400      -1.572900      -2.472900    
 H    1.880700     -0.5765000       1.083300    
 H    1.810600       1.137200      0.8439000    
 H    1.361900      -2.659300      0.3657000    
 H    1.244300      -3.622000      -1.099700    
 H  -0.9500000      -3.313700      0.1847000    
 H   -1.011700      -2.933700      -1.539800    
 H    1.541100       1.980500      -1.580400    
 H    2.345000      0.7479000      -2.505700    
 H   0.6323000      0.9409000      -2.723500    
 H    3.865900     -0.6728000     -0.5131000    
 H    3.700800       1.059500     -0.7603000    
 H   -1.056200       2.866000      0.7825000    
 H   0.5025000       2.401000      0.2115000    
 H   -3.650100      -2.514200      0.4045000    
 H   -3.308200       2.460200      0.7712000    
 H  -0.6474000       2.506300      -2.249400    
 H  -0.1916000       4.000200      -1.400800    
 H   -1.854100       3.419900      -1.385600    
 H   -5.588500      -1.163700       1.148500    
 H   -5.417800       1.291500       1.331400    
 H    6.153800     -0.4028000      0.2998000    
 H    6.433500      0.8239000       1.557600    
 H    5.966600       1.328800     -5.9000000E-02
 H    3.243900     -0.3922000       2.654200    
 H    4.959100     -0.3820000       2.930600    
 H    4.292600      -1.527600       1.754900    


%chk=000042894-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042894

0 1
N -0.959195 1.028972 -0.098515
N 4.426554 0.502218 1.176141
C 1.198765 -0.202195 -0.976457
C -0.259875 -0.138662 -0.520119
C 1.422401 -1.631463 -1.587477
C -1.110783 -1.244570 -0.388709
C 2.124272 0.026834 0.275052
C 0.827362 -2.788039 -0.755665
C -0.714017 -2.668008 -0.696255
C 1.515780 0.817557 -2.113006
C -2.381109 -0.768228 0.109811
C -2.258480 0.654750 0.281942
C 3.643252 0.048243 -0.002257
C -0.507233 2.430847 -0.060228
C -3.606035 -1.403829 0.441435
C -3.324390 1.443288 0.771967
C -1.008090 3.271931 -1.256043
C -4.671348 -0.622522 0.931908
C -4.530536 0.786994 1.096419
C 5.828844 0.795624 0.812195
C 4.352028 -0.431056 2.319806
H 2.507910 -1.783543 -1.738450
H 0.957159 -1.651258 -2.594513
H 1.881450 -0.756604 1.016851
H 1.870475 0.992149 0.753531
H 1.242296 -2.771562 0.271364
H 1.117841 -3.757876 -1.203391
H -1.125154 -3.356466 0.068474
H -1.146558 -2.991266 -1.667069
H 1.626819 1.853173 -1.747431
H 2.460211 0.544339 -2.619250
H 0.714839 0.801400 -2.873822
H 3.988884 -0.961280 -0.348338
H 3.855389 0.760548 -0.821346
H -0.871129 2.876866 0.885540
H 0.591982 2.452957 -0.011658
H -3.723129 -2.486824 0.318334
H -3.232163 2.527143 0.902696
H -0.614974 2.878680 -2.208782
H -0.677157 4.321669 -1.149566
H -2.110351 3.260975 -1.312004
H -5.623235 -1.099457 1.191826
H -5.374668 1.370965 1.480799
H 6.393428 -0.103054 0.451723
H 6.363623 1.202359 1.689356
H 5.855177 1.557843 0.012788
H 3.311083 -0.531615 2.668962
H 4.949702 -0.031046 3.158205
H 4.739084 -1.454603 2.075325


