%chk=000047627.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047627

0 1
 O    2.442300      0.9416000      5.3100001E-02
 O   -2.437500     -0.9401000      5.2999999E-02
 N    8.849200      0.6276000     -2.8200001E-02
 N   -8.844400     -0.6286000     -2.8200001E-02
 N    8.183400      -1.611700     -8.6400002E-02
 N   -8.179600       1.611000     -8.6400002E-02
 C    4.104500     -0.5872000     -6.8000001E-03
 C   -4.100200      0.5881000     -6.8000001E-03
 C    3.793900      0.7681000      3.3199999E-02
 C   -3.789100     -0.7671000      3.3199999E-02
 C    1.885400     -0.2971000      2.6500000E-02
 C   -1.939700      0.2908000      2.6100000E-02
 C    2.858700      -1.268500     -1.0600000E-02
 C   -2.854700       1.269900     -1.0600000E-02
 C    5.458200     -0.9655000     -3.2800000E-02
 C   -5.454000      0.9659000     -3.2800000E-02
 C    6.437100      3.7500001E-02 -1.6200000E-02
 C   -6.432600     -3.7500001E-02 -1.6300000E-02
 C   0.4845000     -0.4907000      3.5900000E-02
 C  -0.4802000      0.4929000      3.5900000E-02
 C    4.744200       1.787600      5.0600000E-02
 C   -4.739000      -1.786800      5.0600000E-02
 C    6.083900       1.388700      2.5100000E-02
 C   -6.078800      -1.388500      2.5100000E-02
 C    7.843300     -0.3362000     -4.3000001E-02
 C   -7.838900      0.3358000     -4.3000001E-02
 H    2.701400      -2.338400     -3.7799999E-02
 H   -2.693100       2.338600     -3.7700001E-02
 H    5.711000      -2.020800     -6.4400002E-02
 H   -5.707200       2.021100     -6.4400002E-02
 H   0.1418000      -1.524200      3.2900002E-02
 H  -0.1528000       1.531500      3.2800000E-02
 H    4.461600       2.833100      8.2400002E-02
 H   -4.456000      -2.832300      8.2300000E-02
 H    6.819800       2.186100      3.8699999E-02
 H   -6.814400      -2.186200      3.8699999E-02
 H    9.824000      0.3462000     -4.8999999E-02
 H    8.679200       1.624800      4.3000001E-03
 H   -9.819400     -0.3476000     -4.9100000E-02
 H   -8.674000      -1.625700      4.1000000E-03
 H    9.207700      -1.671800     -0.1010000    
 H   -9.203800       1.670700     -0.1011000    


%chk=000047627-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047627

0 1
O 2.418270 0.945500 0.025432
O -2.417290 -0.944719 0.055830
N 8.855009 0.593311 -0.448996
N -8.853603 -0.606487 -0.432939
N 8.265697 -1.553463 0.503845
N -8.264233 1.570470 0.448817
C 4.160223 -0.597200 0.055969
C -4.158930 0.598592 0.033499
C 3.816997 0.791139 0.030364
C -3.816075 -0.789875 0.054728
C 1.875716 -0.382815 0.050170
C -1.874517 0.383479 0.035927
C 2.906566 -1.320397 0.067942
C -2.905023 1.321371 0.021335
C 5.525610 -0.963863 0.063726
C -5.524142 0.965753 0.029179
C 6.507315 0.054230 0.042771
C -6.506129 -0.052219 0.042407
C 0.445733 -0.525432 0.052652
C -0.444697 0.526077 0.033750
C 4.762733 1.822371 0.023700
C -4.762076 -1.820514 0.082892
C 6.120655 1.431297 0.030641
C -6.119896 -1.429022 0.076523
C 7.951697 -0.356398 0.045543
C -7.950367 0.358743 0.030755
H 2.773261 -2.400463 0.089445
H -2.771048 2.401482 0.006723
H 5.859813 -2.004488 0.097934
H -5.858094 2.007020 0.028242
H 0.066833 -1.553118 0.071511
H -0.065858 1.553802 0.016499
H 4.464899 2.874093 0.028052
H -4.464528 -2.871562 0.122929
H 6.885573 2.214146 0.079276
H -6.885152 -2.209508 0.151418
H 9.854109 0.399475 -0.435968
H 8.537149 1.414043 -0.959524
H -9.852641 -0.411978 -0.427136
H -8.535517 -1.442837 -0.917276
H 9.281526 -1.770823 0.433303
H -9.279869 1.785889 0.370012


