%chk=000040792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040792

0 1
 O   -5.087700       1.888500      0.7054000    
 N   -4.835700     -0.3273000     -6.7000002E-02
 N   0.7263000     -0.3065000     -0.5580000    
 N    6.829800     -1.7899999E-02  6.2300000E-02
 N    1.252000     -3.4699999E-02  0.5470000    
 C   -3.446000     -0.3220000     -0.1906000    
 C   -2.779900      0.8563000     -0.5279000    
 C   -2.722500      -1.495100      2.4200000E-02
 C  -0.6737000     -0.3114000     -0.4354000    
 C   -1.390500      0.8615000     -0.6508000    
 C   -1.333000      -1.489800     -9.8499998E-02
 C   -5.582100      -1.557800     -0.4751000    
 C   -5.593800      0.8216000      0.3483000    
 C    5.424600     -2.1800000E-02  0.1842000    
 C    2.645300     -2.9899999E-02  0.4255000    
 C    4.702200       1.151800     -3.1500001E-02
 C    4.757100      -1.199700      0.5206000    
 C    3.312600       1.147800      8.9299999E-02
 C    3.367500      -1.203600      0.6412000    
 C   -7.102300      0.7324000      0.3127000    
 C    7.529800      0.8575000     -0.8260000    
 H   -3.300500       1.779700     -0.7597000    
 H   -3.208100      -2.424300      0.3098000    
 H  -0.8800000       1.780400     -0.9265000    
 H  -0.7763000      -2.406900      7.4800000E-02
 H   -4.999400      -2.145300      -1.191300    
 H   -6.524800      -1.303500     -0.9632000    
 H   -5.786200      -2.145800      0.4245000    
 H    5.193100       2.086600     -0.2864000    
 H    5.307900      -2.121100      0.6911000    
 H    2.758500       2.067800     -7.8199998E-02
 H    2.856500      -2.126100      0.9045000    
 H   -7.449500     -0.1541000      0.8491000    
 H   -7.450200      0.7163000     -0.7233000    
 H   -7.530200       1.610400      0.8066000    
 H    7.305900     -0.8653000      0.3548000    
 H    7.126800      0.8040000      -1.842700    
 H    8.584500      0.5679000     -0.8730000    
 H    7.495000       1.894600     -0.4780000    


%chk=000040792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040792

0 1
O -5.556122 2.046704 0.179153
N -5.037485 -0.233877 -0.096821
N 0.651135 0.380799 -0.262483
N 7.027559 -0.158813 -0.070890
N 1.387719 -0.655323 0.080176
C -3.605550 -0.064315 -0.113361
C -2.985314 1.145276 -0.537514
C -2.773656 -1.155699 0.281971
C -0.756133 0.153535 -0.184046
C -1.583166 1.241180 -0.569337
C -1.375281 -1.052931 0.248485
C -5.549649 -1.621773 -0.185559
C -5.936270 0.841899 0.085740
C 5.640026 -0.238595 -0.048358
C 2.788832 -0.441461 0.012131
C 4.818516 0.877224 -0.414678
C 5.002635 -1.457134 0.348579
C 3.422447 0.774270 -0.383568
C 3.606244 -1.550358 0.376123
C -7.425854 0.499962 0.175170
C 7.775642 1.034522 -0.462610
H -3.600359 1.998352 -0.820153
H -3.220777 -2.087428 0.642002
H -1.098242 2.165894 -0.899332
H -0.739212 -1.887331 0.558938
H -4.907330 -2.206157 -0.863961
H -6.566239 -1.626952 -0.601444
H -5.572999 -2.124074 0.801165
H 5.283871 1.819442 -0.720974
H 5.617409 -2.320615 0.632607
H 2.787928 1.622061 -0.660877
H 3.108461 -2.477824 0.678689
H -7.644273 -0.269910 0.936288
H -7.826095 0.148004 -0.794295
H -7.948200 1.429035 0.446048
H 7.552099 -0.989023 0.199874
H 7.556449 1.333657 -1.507138
H 8.855384 0.825998 -0.388471
H 7.548851 1.896983 0.195532


