%chk=000077943.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077943

0 1
 O    3.713300     -0.5406000      6.0000001E-03
 N    1.372800     -0.7468000     -2.3000001E-03
 N  -0.8954000      -1.341000     -3.9999999E-04
 N  -0.2303000      0.9646000      1.9999999E-04
 N   -2.559400      0.3878000      8.9999998E-04
 N   -3.179100      -1.873900     -1.9999999E-04
 N   -1.879100       2.631800      9.9999997E-05
 C   4.1800000E-02 -0.3627000     -6.0000003E-04
 C    2.481600      0.1824000     -2.7000001E-03
 C   -2.161900     -0.8949000      1.9999999E-04
 C   -1.539800       1.261400      6.9999998E-04
 C    4.835500      0.3320000     -1.9000000E-03
 H    2.436200      0.8188000      0.8887000    
 H    2.442000      0.8098000     -0.9007000    
 H    1.571900      -1.740000     -3.5000001E-03
 H    5.744200     -0.2757000      6.3999998E-03
 H    4.832100      0.9683000      0.8882000    
 H    4.835200      0.9482000     -0.9062000    
 H   -4.147400      -1.584600      7.9999998E-04
 H   -2.927000      -2.852600     -9.9999997E-05
 H   -2.852700       2.902800     -5.0000002E-04
 H   -1.144400       3.325700     -1.0000000E-03


%chk=000077943-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077943

0 1
O 3.660226 -0.546374 0.004905
N 1.369637 -0.693467 -0.004360
N -0.872375 -1.355045 -0.001144
N -0.233123 1.011717 -0.002569
N -2.598408 0.381023 0.000998
N -3.149975 -1.894305 0.001969
N -1.931585 2.623840 0.000330
C 0.050216 -0.334628 -0.002543
C 2.456700 0.275020 -0.005364
C -2.174747 -0.928009 0.000544
C -1.577405 1.297141 -0.000638
C 4.877252 0.256108 0.000177
H 2.406219 0.932470 0.891241
H 2.415465 0.921866 -0.910352
H 1.612292 -1.684816 -0.005144
H 5.714375 -0.458454 0.008713
H 4.940902 0.907792 0.897746
H 4.944915 0.891059 -0.909038
H -4.125609 -1.610469 0.003462
H -2.875391 -2.872705 0.001832
H -2.917487 2.870047 0.001958
H -1.201991 3.330988 -0.000623


