%chk=000057323.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057323

0 1
 N    3.854100     -0.5337000      0.6088000    
 N  -0.4445000       1.911300     -0.6576000    
 C    1.743100     -8.6099997E-02  4.8700001E-02
 C    2.421400       1.140000      0.3140000    
 C    1.819300       2.489100      0.1459000    
 C   0.4224000     -0.4006000     -0.3327000    
 C    2.675100      -1.113500      0.1995000    
 C   0.8375000       2.498300      -1.025800    
 C  -0.6250000      0.6646000     -0.3852000    
 C    3.713700      0.8262000      0.6759000    
 C   0.1101000      -1.744000     -0.6086000    
 C    2.367100      -2.454300     -4.6399999E-02
 C   -2.026100      0.2810000     -5.3199999E-02
 C    1.068700      -2.748000     -0.4678000    
 C   -2.464500      0.3633000       1.261400    
 C   -2.874100     -0.1532000      -1.063000    
 C   -3.776000      4.4999998E-03   1.572300    
 C   -4.185700     -0.5119000     -0.7520000    
 C   -4.636600     -0.4330000      0.5657000    
 H    1.322500       2.792900       1.074800    
 H    2.616100       3.215300     -5.5399999E-02
 H   0.6450000       3.541100      -1.303900    
 H    1.247900       2.013600      -1.920600    
 H    4.552500       1.451300      0.9490000    
 H    4.708200      -1.037500      0.8037000    
 H  -0.8842000      -2.041900     -0.9265000    
 H    3.107500      -3.237900      7.2200000E-02
 H   0.7978000      -3.779400     -0.6792000    
 H   -1.800600      0.7030000       2.051600    
 H   -2.532900     -0.2148000      -2.092800    
 H   -4.127100      6.5800004E-02   2.598200    
 H   -4.856000     -0.8520000      -1.535900    
 H   -5.657900     -0.7122000      0.8077000    


%chk=000057323-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057323

0 1
N 3.963655 -0.416276 0.735307
N -0.465048 1.774394 -0.988567
C 1.791782 -0.064760 0.121726
C 2.458216 1.219921 0.201429
C 1.824099 2.528287 -0.189497
C 0.447461 -0.444534 -0.192381
C 2.763969 -1.076324 0.449011
C 0.851702 2.314160 -1.390686
C -0.624598 0.569843 -0.475411
C 3.778383 0.966324 0.572123
C 0.163357 -1.835442 -0.225214
C 2.463571 -2.453763 0.427140
C -2.050713 0.212024 -0.139170
C 1.149147 -2.817007 0.065947
C -2.384012 -0.550318 1.012906
C -3.102295 0.706282 -0.956106
C -3.734095 -0.815396 1.334488
C -4.449337 0.431096 -0.642770
C -4.772019 -0.332542 0.505033
H 1.238749 2.970020 0.641302
H 2.598799 3.268971 -0.464864
H 0.658457 3.286808 -1.877040
H 1.351982 1.653962 -2.132283
H 4.601646 1.664060 0.716168
H 4.837081 -0.867923 0.995654
H -0.846611 -2.164612 -0.487229
H 3.213669 -3.214607 0.669915
H 0.877487 -3.877018 0.015963
H -1.588356 -0.918233 1.669407
H -2.835848 1.316487 -1.824646
H -3.974477 -1.394133 2.233680
H -5.248093 0.812122 -1.289385
H -5.818909 -0.544572 0.750849


