%chk=000100746.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100746

0 1
 O   -1.809200     -0.8685000       1.970000    
 N  -0.6304000      0.2643000      0.3243000    
 C   0.6788000      6.1999999E-02  0.8806000    
 C    1.652100       1.158400      0.4837000    
 C    1.358600      -1.173000      0.3152000    
 C    2.749500      0.6119000     -0.2199000    
 C    2.569400     -0.8203000     -0.3231000    
 C    1.569000       2.516700      0.7440000    
 C   0.9384000      -2.491500      0.3822000    
 C    3.770500       1.428500     -0.6781000    
 C    3.365900      -1.790200     -0.9095000    
 C    2.598000       3.339100      0.2820000    
 C    1.741300      -3.468500     -0.2092000    
 C    3.687400       2.800500     -0.4231000    
 C    2.942600      -3.121300     -0.8495000    
 C   -1.785300     -0.2251000      0.9240000    
 C   -3.059200      4.6200000E-02  0.2096000    
 C   -4.118100     -0.8208000      0.3829000    
 C   -3.142500       1.156400     -0.6047000    
 C   -5.314000     -0.5661000     -0.2882000    
 C   -4.338500       1.411300      -1.275800    
 C   -5.424200      0.5499000      -1.117600    
 H   0.6338000     -1.5699999E-02   1.973400    
 H  -0.6772000      0.6948000     -0.5936000    
 H   0.7303000       2.935000       1.289800    
 H   1.5300000E-02  -2.768000      0.8790000    
 H    4.620000       1.027100      -1.220500    
 H    4.298000      -1.538200      -1.404300    
 H    2.558100       4.408800      0.4698000    
 H    1.435700      -4.510900     -0.1733000    
 H    4.477000       3.460700     -0.7726000    
 H    3.551500      -3.899700      -1.302100    
 H   -4.046800      -1.696800       1.020700    
 H   -2.333200       1.868600     -0.7274000    
 H   -6.159300      -1.237100     -0.1659000    
 H   -4.427400       2.284600      -1.915600    
 H   -6.355900      0.7492000      -1.638900    


%chk=000100746-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100746

0 1
O -1.759391 -0.335703 2.139356
N -0.669534 0.068176 0.125805
C 0.673055 -0.117801 0.696280
C 1.630301 1.055126 0.458314
C 1.456556 -1.301877 0.117739
C 2.848514 0.588004 -0.118409
C 2.740563 -0.871841 -0.329775
C 1.442909 2.416104 0.747749
C 1.069250 -2.647640 0.018987
C 3.897189 1.490891 -0.396343
C 3.653432 -1.801046 -0.873207
C 2.493994 3.324476 0.460534
C 1.983776 -3.579729 -0.534991
C 3.710023 2.862911 -0.102753
C 3.264392 -3.158347 -0.972929
C -1.815292 -0.036222 0.902622
C -3.127707 0.207826 0.202362
C -4.299512 -0.297955 0.821199
C -3.242896 0.932194 -1.013530
C -5.562304 -0.106046 0.224148
C -4.508724 1.128721 -1.608056
C -5.670359 0.604531 -0.994983
H 0.493105 -0.268330 1.781685
H -0.741868 0.208198 -0.882839
H 0.505004 2.770537 1.189784
H 0.081845 -2.972599 0.365218
H 4.840623 1.143843 -0.832476
H 4.645385 -1.485007 -1.214921
H 2.368337 4.390662 0.679474
H 1.701412 -4.634793 -0.621819
H 4.513082 3.578122 -0.313593
H 3.959560 -3.893269 -1.394290
H -4.191030 -0.829706 1.772071
H -2.361666 1.381550 -1.487734
H -6.460689 -0.505462 0.707166
H -4.589898 1.696867 -2.541153
H -6.651438 0.756935 -1.458392


