%chk=000046115.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046115

0 1
 O    1.909900      0.4013000      0.9081000    
 O    2.152600     -0.6467000      -1.153100    
 N   -2.781100      -1.466400      0.1396000    
 N    3.773300     -0.8706000      0.4917000    
 C   -2.936400     -5.0900001E-02  0.4724000    
 C   -1.663300      0.7211000      0.2480000    
 C  -0.4578000      0.1935000      0.6886000    
 C   -1.713900       1.948900     -0.3969000    
 C   0.7215000      0.9086000      0.4803000    
 C   -2.407000      -1.623100      -1.265500    
 C   -4.015500      -2.197000      0.4244000    
 C  -0.5345000       2.663900     -0.6050000    
 C   0.6832000       2.143900     -0.1665000    
 C    2.584200     -0.4041000     -2.9899999E-02
 C    4.684800      -1.722600     -0.2360000    
 H   -3.199300      5.8699999E-02   1.532800    
 H   -3.758600      0.3915000     -0.1066000    
 H  -0.4141000     -0.7606000       1.207400    
 H   -2.655800       2.365300     -0.7423000    
 H   -1.416700      -1.216700      -1.492800    
 H   -3.135800      -1.159700      -1.941500    
 H   -2.347200      -2.687800      -1.522100    
 H   -3.885200      -3.266200      0.2233000    
 H   -4.860000      -1.834300     -0.1730000    
 H   -4.279500      -2.108600       1.484200    
 H  -0.5642000       3.625900      -1.108500    
 H    1.598100       2.706400     -0.3316000    
 H    4.021300     -0.5999000       1.438300    
 H    4.806400      -2.651300      0.3268000    
 H    5.648600      -1.212100     -0.3031000    
 H    4.310900      -1.942700      -1.238700    


%chk=000046115-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046115

0 1
O 2.071691 0.653906 0.460434
O 1.837303 -1.292114 -0.903640
N -2.667656 -1.451110 -0.009392
N 3.752477 -0.854271 0.392271
C -2.911746 -0.022972 0.281570
C -1.668854 0.851993 0.129656
C -0.381669 0.301681 0.333220
C -1.798171 2.231350 -0.168064
C 0.749140 1.133237 0.217545
C -2.379579 -1.711639 -1.435706
C -3.732352 -2.325190 0.517574
C -0.653644 3.056042 -0.252149
C 0.634981 2.509781 -0.065559
C 2.496138 -0.592464 -0.100706
C 4.508983 -2.045667 0.001658
H -3.264693 0.041745 1.331271
H -3.733160 0.404687 -0.352026
H -0.293498 -0.766170 0.550229
H -2.794299 2.659376 -0.335058
H -1.510889 -1.115017 -1.759955
H -3.244153 -1.469279 -2.104830
H -2.124973 -2.777496 -1.570931
H -3.454932 -3.382103 0.355328
H -4.729667 -2.156696 0.035757
H -3.846451 -2.164028 1.604928
H -0.761024 4.122851 -0.477124
H 1.538116 3.122690 -0.140843
H 4.148782 -0.175057 1.042165
H 4.750539 -2.672310 0.879951
H 5.448329 -1.775130 -0.515346
H 3.883828 -2.632927 -0.689428


