%chk=000021312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021312

0 1
 O    1.299300       1.200600      5.0000002E-04
 N   -2.364400      -1.675900     -6.2000002E-03
 N  -0.4951000     -0.2600000     -2.7000001E-03
 N  -0.8253000       2.116600      8.9999998E-04
 N   -2.718500      0.6422000     -3.0000000E-03
 C    3.572700      0.4494000      2.0900000E-02
 C    4.503100     -0.7602000      4.8000002E-03
 C    2.108900      3.2900002E-02 -6.0000003E-04
 C    5.963800     -0.3392000     -1.7200001E-02
 C  -5.8400001E-02   1.011800     -9.9999997E-05
 C   -1.543100      -2.845800     -7.4000000E-03
 C   -1.833600     -0.3677000     -3.8000001E-03
 C   -2.142500       1.855200     -6.0000003E-04
 C   -2.408300      -4.091300      1.2400000E-02
 C   -3.058600       3.031400      2.0999999E-03
 H    3.764200       1.064600      0.9091000    
 H    3.777100       1.096700     -0.8413000    
 H    4.295900      -1.378500     -0.8764000    
 H    4.319900      -1.382800      0.8882000    
 H    1.910700     -0.5577000     -0.9039000    
 H    1.892400     -0.5757000      0.8864000    
 H    6.187200      0.2566000     -0.9080000    
 H    6.213500      0.2564000      0.8666000    
 H    6.612300      -1.220900     -2.7000001E-02
 H  -0.9084000      -2.866400     -0.9009000    
 H  -0.8882000      -2.854800      0.8717000    
 H   -3.375100      -1.753500     -8.9999996E-03
 H   -3.042700      -4.116100      0.9048000    
 H   -3.063300      -4.129900     -0.8647000    
 H   -1.784000      -4.990300      1.2200000E-02
 H   -2.593600       3.888100     -0.4957000    
 H   -3.990400       2.799200     -0.5231000    
 H   -3.296900       3.311500       1.032400    


%chk=000021312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021312

0 1
O 1.309252 1.140350 0.017132
N -2.450942 -1.689989 -0.013583
N -0.513142 -0.351373 0.000155
N -0.799256 2.069656 0.012243
N -2.756101 0.629311 -0.005657
C 3.629291 0.461974 0.024123
C 4.660179 -0.691257 -0.007714
C 2.193034 -0.061076 0.006902
C 6.115441 -0.176478 0.015591
C -0.048351 0.930162 0.009544
C -1.682976 -2.945885 -0.013241
C -1.885718 -0.446774 -0.006255
C -2.156657 1.854971 0.003563
C -2.635203 -4.152808 -0.019825
C -3.037587 3.075638 0.004221
H 3.781315 1.078307 0.930728
H 3.782966 1.128270 -0.846188
H 4.499608 -1.305826 -0.916983
H 4.491855 -1.363400 0.858499
H 1.974438 -0.656808 -0.899074
H 1.961332 -0.683224 0.891414
H 6.318800 0.473958 -0.855628
H 6.310496 0.416467 0.928712
H 6.839486 -1.011209 -0.007930
H -1.016751 -2.968725 -0.896872
H -1.024334 -2.972726 0.875982
H -3.472207 -1.712623 -0.017523
H -3.285310 -4.156263 0.874500
H -3.277584 -4.152781 -0.919711
H -2.056195 -5.092124 -0.019126
H -2.816196 3.701309 -0.878590
H -4.097728 2.783113 -0.001990
H -2.824655 3.694364 0.893982


