%chk=000022729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022729

0 1
 O   -1.315800     -0.8763000     -5.1000002E-03
 N   0.9479000      -1.354000     -2.0000001E-03
 N   0.1541000      0.9104000     -1.9000000E-03
 N    2.512100      0.4657000      1.9000000E-03
 N    3.257900      -1.757700      2.3000001E-03
 N    1.706500       2.667900      1.9000000E-03
 C   -3.692100     -0.5890000      1.2800000E-02
 C   -2.340400      0.1081000     -6.0999999E-03
 C   -4.840100      0.4042000     -2.3000001E-03
 C  -2.2200000E-02 -0.4227000     -3.0000000E-03
 C    2.187300     -0.8373000      6.0000003E-04
 C    1.444900       1.280600      6.9999998E-04
 H   -3.771500      -1.261800     -0.8495000    
 H   -3.764200      -1.228200      0.9010000    
 H   -2.262100      0.7276000     -0.9083000    
 H   -2.249600      0.7463000      0.8819000    
 H   -4.809100       1.026400     -0.9024000    
 H   -5.798700     -0.1239000      1.2300000E-02
 H   -4.801500       1.062000      0.8719000    
 H    4.208500      -1.414400      3.5000001E-03
 H    3.061100      -2.749000      8.9999998E-04
 H    2.663300       2.993400      4.1999999E-03
 H   0.9338000       3.319300      1.6000000E-03


%chk=000022729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022729

0 1
O -1.304148 -0.829075 -0.002114
N 0.937832 -1.339411 0.002632
N 0.201066 0.982603 -0.003383
N 2.592177 0.469903 0.001080
N 3.233807 -1.783526 0.006875
N 1.816464 2.679375 -0.005009
C -3.709234 -0.613692 0.005487
C -2.397088 0.174855 -0.003351
C -4.930413 0.332274 0.001800
C -0.010660 -0.365210 -0.000489
C 2.226460 -0.856274 0.003402
C 1.533401 1.339052 -0.002385
H -3.735712 -1.278426 -0.878280
H -3.731485 -1.265957 0.898637
H -2.302618 0.814210 -0.901796
H -2.295804 0.824194 0.887032
H -4.937459 0.977302 -0.897388
H -5.872935 -0.243820 0.009649
H -4.931598 0.991913 0.890355
H 4.200098 -1.468364 0.007607
H 2.990283 -2.770706 0.008596
H 2.787700 2.979554 -0.004338
H 1.049965 3.346824 -0.007719


