%chk=000049308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049308

0 1
 O  -0.6142000      0.4598000       2.314000    
 O  -0.5306000      0.8239000      -2.366900    
 O    3.340800       1.110400      7.9800002E-02
 N    1.371900      0.6857000       1.188300    
 N    1.413500      0.8683000      -1.149900    
 C  -0.6303000      4.0199999E-02 -7.4299999E-02
 C   -2.111900      0.4439000     -6.9300003E-02
 C  -0.5206000      -1.490600     -0.1916000    
 C   9.7000003E-03  0.4334000       1.253400    
 C   5.5300001E-02  0.6324000      -1.301600    
 C   -2.854600     -0.2868000       1.042900    
 C   -2.247500       1.953900      8.6599998E-02
 C   -1.188700      -1.969100      -1.475900    
 C   0.9244000      -1.903000     -0.1607000    
 C    2.129800      0.8863000      4.0899999E-02
 C    1.453000      -2.689000      0.7844000    
 H   -2.597500      0.2032000      -1.021700    
 H  -0.9927000      -1.999100      0.6543000    
 H   -2.703100      9.4300002E-02   2.053000    
 H   -3.927800     -0.1120000      0.8739000    
 H   -2.772300      -1.373200       1.041500    
 H   -1.859800       2.323300       1.040800    
 H   -3.305600       2.238500      4.6500001E-02
 H   -1.744300       2.502900     -0.7150000    
 H   -2.261000      -1.764900      -1.515100    
 H   -1.104400      -3.062900      -1.534400    
 H  -0.7185000      -1.596800      -2.390400    
 H    1.559100      -1.667400      -1.010900    
 H    1.852500      0.8153000       2.074200    
 H    1.924700       1.132300      -1.987500    
 H    2.488400      -3.005400      0.7185000    
 H   0.8730000      -3.025900       1.636300    


%chk=000049308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049308

0 1
O -0.333181 -0.218748 2.373011
O -0.265120 0.378668 -2.473981
O 3.044916 2.137738 0.251770
N 1.275255 0.997498 1.269994
N 1.374206 1.182172 -1.075622
C -0.562189 -0.103679 -0.076427
C -2.033971 0.500657 -0.097813
C -0.555752 -1.702709 -0.198507
C 0.109650 0.209310 1.273920
C 0.169399 0.489862 -1.295700
C -3.014395 -0.155220 0.899102
C -2.003410 2.035950 0.115545
C -1.401129 -2.257654 -1.369259
C 0.874035 -2.218282 -0.302300
C 1.977293 1.483410 0.156975
C 1.547501 -2.849415 0.690862
H -2.390273 0.309653 -1.128384
H -0.982737 -2.051710 0.760240
H -2.686857 -0.012976 1.941951
H -4.009901 0.311495 0.778437
H -3.133945 -1.238652 0.727792
H -1.668271 2.296670 1.137108
H -3.019521 2.449746 -0.012789
H -1.346168 2.548520 -0.611088
H -2.465992 -1.982661 -1.282700
H -1.336120 -3.360849 -1.361434
H -1.035859 -1.892743 -2.343500
H 1.360331 -2.079607 -1.282126
H 1.705415 1.182114 2.182511
H 1.853648 1.546153 -1.906062
H 2.570599 -3.214859 0.547146
H 1.093242 -3.017953 1.675424


