%chk=000060867.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060867

0 1
 O   -6.757200     -0.6192000     -0.4008000    
 N   -3.270100      -1.258900     -0.3814000    
 N   -4.612200      -1.428300     -0.4013000    
 N    2.860500      0.6216000     -0.1324000    
 N    3.684100     -0.4284000      4.1600000E-02
 N    6.345800      -2.385000      0.3716000    
 N    5.983700       2.127300     -0.3772000    
 C   -3.681400       1.023400      0.4622000    
 C   -4.979600      0.9754000     -0.3279000    
 C   -2.785100     -0.1091000     -1.9500000E-02
 C   -3.931300      0.8951000       1.966100    
 C   -1.298000      8.3499998E-02 -4.8700001E-02
 C   -5.544100     -0.4183000     -0.3564000    
 C  -0.7694000       1.353900     -0.2580000    
 C  -0.4556000      -1.009600      0.1330000    
 C   0.6137000       1.532800     -0.2860000    
 C   0.9275000     -0.8307000      0.1051000    
 C    1.462200      0.4406000     -0.1043000    
 C    4.959100     -0.2241000      9.3999999E-03
 C    5.724200      -1.418700      0.2088000    
 C    5.523200       1.076400     -0.2039000    
 H   -3.236900       2.004100      0.2897000    
 H   -4.802000       1.274400      -1.368100    
 H   -5.723400       1.657400      9.8300003E-02
 H   -4.600700       1.686100       2.319900    
 H   -4.375500     -7.1000002E-02   2.228700    
 H   -2.989300      0.9787000       2.519100    
 H   -4.911300      -2.392600     -0.5057000    
 H   -1.386200       2.226100     -0.4403000    
 H  -0.8502000      -2.007200      0.3052000    
 H    1.018500       2.527000     -0.4579000    
 H    1.557800      -1.703600      0.2519000    
 H    3.207800       1.560500     -0.2872000    


%chk=000060867-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060867

0 1
O -6.862119 -0.903391 -0.224983
N -3.258350 -1.356642 -0.020495
N -4.643467 -1.543936 0.001569
N 2.900602 0.536947 0.018263
N 3.738020 -0.499624 -0.124596
N 6.697401 -2.315804 -0.401094
N 5.999987 2.176566 0.155037
C -3.757472 1.081277 0.213637
C -5.086086 0.800515 -0.534027
C -2.807334 -0.106504 0.045382
C -3.997132 1.347994 1.728184
C -1.336495 0.064817 0.032806
C -5.641461 -0.583906 -0.226427
C -0.730572 1.343494 0.184850
C -0.477966 -1.067398 -0.122806
C 0.668970 1.489898 0.180222
C 0.915935 -0.937047 -0.129909
C 1.494973 0.351031 0.022055
C 5.067799 -0.272507 -0.122661
C 5.946358 -1.392528 -0.275127
C 5.628079 1.043702 0.025827
H -3.308331 1.986084 -0.232539
H -4.929614 0.853057 -1.630587
H -5.856187 1.546778 -0.277901
H -4.658012 2.223620 1.861681
H -4.477996 0.479924 2.214153
H -3.047532 1.546524 2.255272
H -4.930376 -2.521728 0.088410
H -1.344212 2.240388 0.311272
H -0.939782 -2.051510 -0.238852
H 1.113572 2.485716 0.299114
H 1.566077 -1.806871 -0.251739
H 3.261324 1.500665 0.129607


