%chk=000060193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060193

0 1
 O   -3.912200     -0.5074000      0.4657000    
 O    4.196500      -1.332800     -0.4363000    
 N    1.610100     -0.8397000     -9.9100001E-02
 N    4.910400      0.8377000     -3.8899999E-02
 C   0.2336000     -0.7572000      4.1400000E-02
 C    2.500700      0.2846000      5.9300002E-02
 C   -2.560800     -0.5889000      0.3275000    
 C   -4.525400      0.7369000      0.1318000    
 C   -5.943200      0.4725000     -0.3512000    
 C  -0.3871000      0.4658000      0.3556000    
 C  -0.5788000      -1.893900     -0.1261000    
 C    3.935000     -0.1580000     -0.1635000    
 C   -1.772400      0.5492000      0.4976000    
 C   -1.964000      -1.810300      1.5699999E-02
 C   -6.655700       1.755300     -0.7403000    
 C    6.334200      0.5664000     -0.2231000    
 C    4.579000       2.219900      0.2841000    
 H    2.417400      0.6879000       1.074000    
 H    2.259600       1.058300     -0.6770000    
 H    2.003400      -1.746800     -0.3259000    
 H   -3.984500       1.248400     -0.6751000    
 H   -4.543200       1.376400       1.021900    
 H   -5.919100     -0.2134000      -1.206600    
 H   -6.508500     -4.4700000E-02  0.4334000    
 H   0.1895000       1.375400      0.5025000    
 H  -0.1299000      -2.854500     -0.3695000    
 H   -2.194300       1.512600      0.7680000    
 H   -2.573100      -2.700100     -0.1182000    
 H   -6.129800       2.265900      -1.553100    
 H   -7.673000       1.536000      -1.079500    
 H   -6.722100       2.440700      0.1106000    
 H    6.863600      0.8158000      0.7010000    
 H    6.707700       1.183400      -1.045400    
 H    6.504900     -0.4867000     -0.4600000    
 H    3.905900       2.620000     -0.4791000    
 H    5.481500       2.837200      0.3205000    
 H    4.084500       2.254400       1.258700    


%chk=000060193-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060193

0 1
O -3.964102 -0.569432 -0.213006
O 4.265976 -1.377210 -0.004293
N 1.695520 -0.747602 -0.059113
N 5.048086 0.811652 0.136942
C 0.303828 -0.649823 -0.094013
C 2.577968 0.392951 0.027061
C -2.552585 -0.515469 -0.169781
C -4.687685 0.707973 -0.179474
C -6.183372 0.385770 -0.242997
C -0.372719 0.601365 -0.053677
C -0.489928 -1.836626 -0.173145
C 4.032747 -0.126007 0.052303
C -1.786303 0.669198 -0.090907
C -1.890284 -1.768963 -0.210447
C -7.045662 1.666759 -0.214570
C 6.448276 0.352735 0.176200
C 4.847949 2.265461 0.218612
H 2.384089 0.997044 0.944167
H 2.446671 1.083873 -0.838871
H 2.170253 -1.654925 -0.090055
H -4.383107 1.337720 -1.043762
H -4.442888 1.257146 0.755842
H -6.383986 -0.191514 -1.164792
H -6.442088 -0.270396 0.608894
H 0.195996 1.535356 0.006735
H 0.006078 -2.814330 -0.205330
H -2.267372 1.651713 -0.057057
H -2.495034 -2.679413 -0.271321
H -6.816444 2.325248 -1.073646
H -8.120601 1.417480 -0.260164
H -6.874057 2.247031 0.711744
H 6.937415 0.681393 1.113077
H 7.014458 0.762059 -0.682098
H 6.454159 -0.746221 0.126884
H 3.788092 2.535108 0.111936
H 5.412550 2.773032 -0.587052
H 5.208506 2.656164 1.190574


