%chk=000056210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056210

0 1
 O  -0.2604000       2.110700       1.478400    
 N   -3.365400      0.7580000     -2.7899999E-02
 N   0.9242000      0.1996000     -0.3167000    
 C   -3.523300     -0.4778000      0.7518000    
 C   -4.665900       1.389900     -0.2910000    
 C   -2.474700       1.689100      0.6643000    
 C   -4.413100      -1.482700      1.8700000E-02
 C   -5.592900      0.4459000      -1.058400    
 C   -5.769900     -0.8770000     -0.3221000    
 C   -1.065500       1.114300      0.8439000    
 C  -0.4074000      0.7453000     -0.4915000    
 C    1.204000      -1.136100     -0.1500000    
 C    2.078100      0.9471000     -0.2962000    
 C    2.587700      -1.254700     -1.6500000E-02
 C    3.140300      6.2199999E-02 -0.1090000    
 C   0.3422000      -2.238000     -0.1076000    
 C    2.258200       2.328800     -0.4285000    
 C    3.139700      -2.539700      0.1688000    
 C    4.449900      0.5833000     -5.0700001E-02
 C   0.9128000      -3.500400      7.6600000E-02
 C    3.564800       2.820700     -0.3678000    
 C    2.290600      -3.651300      0.2131000    
 C    4.646000       1.962700     -0.1816000    
 H   -3.947600     -0.2643000       1.741800    
 H   -2.568400     -0.9855000      0.9088000    
 H   -4.524600       2.293600     -0.8964000    
 H   -5.148000       1.697200      0.6464000    
 H   -2.877400       1.979500       1.644400    
 H   -2.396800       2.621900      8.9199997E-02
 H   -4.553300      -2.375300      0.6389000    
 H   -3.916100      -1.809100     -0.9038000    
 H   -5.178900      0.2559000      -2.056900    
 H   -6.569300      0.9221000      -1.202700    
 H   -6.350200      -1.574700     -0.9358000    
 H   -6.338100     -0.7091000      0.6010000    
 H   -1.057500      0.2622000       1.529600    
 H  -0.3217000       1.624600      -1.140300    
 H  -0.9974000      1.0200000E-02  -1.048300    
 H  -0.3090000       2.922100      0.9450000    
 H  -0.7318000      -2.135400     -0.2136000    
 H    1.429100       3.010000     -0.5831000    
 H    4.212300      -2.673700      0.2766000    
 H    5.303500     -7.3100001E-02  9.3800001E-02
 H   0.2705000      -4.376500      0.1137000    
 H    3.738800       3.888800     -0.4694000    
 H    2.712700      -4.642500      0.3555000    
 H    5.653700       2.367200     -0.1378000    


%chk=000056210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056210

0 1
O -0.494133 2.727586 1.615843
N -3.292298 0.605449 0.174578
N 0.878781 0.578277 -0.357927
C -3.605569 -0.348371 1.274802
C -4.502275 0.912062 -0.636880
C -2.603092 1.823252 0.666467
C -4.180787 -1.668933 0.724388
C -5.094683 -0.372280 -1.250591
C -5.427885 -1.403230 -0.148398
C -1.085126 1.594666 0.878817
C -0.371058 1.328415 -0.468978
C 0.961598 -0.828541 -0.382407
C 2.179252 1.103867 -0.219652
C 2.342387 -1.216913 -0.274798
C 3.118242 0.013438 -0.175502
C -0.076577 -1.779608 -0.496766
C 2.602525 2.447509 -0.136901
C 2.678881 -2.590242 -0.286892
C 4.500581 0.287784 -0.056950
C 0.287623 -3.144090 -0.507369
C 3.987470 2.695693 -0.025733
C 1.648555 -3.548229 -0.403868
C 4.930111 1.629810 0.013765
H -4.343041 0.104858 1.988339
H -2.681865 -0.550597 1.846281
H -4.212973 1.617997 -1.438022
H -5.288580 1.414981 -0.014856
H -3.029113 2.201140 1.626784
H -2.739496 2.627948 -0.086724
H -4.428555 -2.338936 1.569664
H -3.404479 -2.174424 0.117230
H -4.355513 -0.805488 -1.952443
H -6.000102 -0.116179 -1.833583
H -5.795623 -2.345053 -0.597041
H -6.245656 -1.008229 0.489699
H -0.916726 0.738403 1.552743
H -0.171527 2.290821 -0.980456
H -1.069418 0.750451 -1.101819
H -0.620134 3.554588 1.082044
H -1.126634 -1.474938 -0.569940
H 1.887026 3.275055 -0.134194
H 3.724240 -2.909283 -0.207021
H 5.229331 -0.529819 -0.020100
H -0.494482 -3.907245 -0.594608
H 4.342771 3.730232 0.043213
H 1.895040 -4.615569 -0.413885
H 5.997485 1.857914 0.106348


