%chk=000047749.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047749

0 1
 N   -2.138800       1.102100     -0.1451000    
 N    2.491600      0.3635000     -9.3999997E-02
 N   0.1814000      0.7640000     -0.1234000    
 N    1.039500      -1.451000      0.2169000    
 N   -1.329900      -1.073200      0.1909000    
 N  -0.4621000      -3.226500      0.5207000    
 C   -3.508100      0.6127000     -4.8400000E-02
 C   -1.933300       2.528700     -0.3611000    
 C    3.622700     -0.5330000      3.1700000E-02
 C    2.728800       1.772200     -0.3361000    
 C   -1.055600      0.2321000     -2.1000000E-02
 C    1.173500     -0.1318000      4.8000002E-03
 C   -3.970400      1.1300000E-02  -1.364800    
 C   -1.637600       3.244900      0.9457000    
 C    4.008400      -1.122300      -1.314400    
 C    2.799700       2.549100      0.9676000    
 C  -0.2400000      -1.849900      0.2988000    
 C   -1.769800      -3.792900      0.6311000    
 H   -3.609400     -0.1211000      0.7606000    
 H   -4.183900       1.434900      0.2186000    
 H   -1.126200       2.706900      -1.082200    
 H   -2.829100       2.973900     -0.8117000    
 H    4.486100      1.6700000E-02  0.4276000    
 H    3.436000      -1.333000      0.7582000    
 H    3.681100       1.901100     -0.8662000    
 H    1.971600       2.208900     -0.9984000    
 H   -3.905400      0.7453000      -2.174900    
 H   -3.365100     -0.8545000      -1.650500    
 H   -5.011600     -0.3169000      -1.285900    
 H   -1.514400       4.318200      0.7698000    
 H   -2.456200       3.109000       1.660400    
 H  -0.7217000       2.872900       1.414800    
 H    3.192100      -1.716200      -1.738000    
 H    4.257000     -0.3356000      -2.034500    
 H    4.881600      -1.773400      -1.207600    
 H    1.859800       2.481200       1.524500    
 H    3.597400       2.166100       1.612700    
 H    3.001100       3.606400      0.7691000    
 H   0.3568000      -3.817300      0.6030000    
 H   -2.347400      -3.639900     -0.2864000    
 H   -2.319200      -3.361800       1.474300    
 H   -1.694300      -4.871600      0.8003000    


%chk=000047749-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047749

0 1
N -2.134980 1.077240 -0.131511
N 2.516287 0.335411 -0.101923
N 0.197627 0.755236 -0.107124
N 1.074116 -1.504721 0.193885
N -1.343671 -1.119968 0.184858
N -0.429109 -3.259611 0.507982
C -3.520889 0.581269 0.000033
C -1.922672 2.517525 -0.383080
C 3.676752 -0.567994 0.043998
C 2.764366 1.771031 -0.347413
C -1.062867 0.216580 -0.017430
C 1.229086 -0.152255 -0.005179
C -4.139791 0.169842 -1.353995
C -1.786836 3.338991 0.917909
C 4.143468 -1.163528 -1.302406
C 2.854145 2.594925 0.955971
C -0.234958 -1.914845 0.292087
C -1.751223 -3.872857 0.631056
H -3.507743 -0.288305 0.676948
H -4.122116 1.382157 0.472218
H -1.005667 2.629206 -0.984578
H -2.777915 2.884031 -0.982840
H 4.495815 0.008285 0.516062
H 3.389822 -1.384645 0.726375
H 3.706252 1.855540 -0.922781
H 1.942727 2.160274 -0.970966
H -4.137457 1.010784 -2.071892
H -3.563806 -0.664341 -1.789542
H -5.186480 -0.160658 -1.216807
H -1.672032 4.414664 0.686766
H -2.675491 3.219863 1.564901
H -0.897321 3.005161 1.479390
H 3.339597 -1.782784 -1.735622
H 4.403871 -0.369360 -2.026455
H 5.036110 -1.800248 -1.155768
H 1.889789 2.552347 1.490491
H 3.643770 2.205684 1.624848
H 3.084708 3.653242 0.731155
H 0.419560 -3.819715 0.575831
H -2.356185 -3.708222 -0.279462
H -2.314265 -3.447470 1.482202
H -1.627695 -4.957560 0.789307


