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NH
3
8.846181
8.860042
0.995
CH
3
NH
2
9.284153
9.341572
CH
3
CH
2
NH
2
9.409908
9.399806
(CH
3
)
2
CHNH
2
9.47929
9.499455
(CH
3
)
2
NH
9.566017
9.583402
(CH
3
)
3
CNH
2
9.57469
9.596479
(CH
3
)
3
N
9.761153
9.794852
TABLE 10.5
Experimental PA (eV), calculated PA (eV), and
R
2
for the Set 4
MOLECULE
Experimental PA (eV))
Calculated PA (eV)
R
2
3-H
3
C
6
H
4
N(C
2
H
5
)
2
9.925935
9.722904
0.91
4-H
3
C
6
H
4
N(C
2
H
5
)
2
9.912926
9.706435
C
6
H
5
N(C
3
H
7
)
2
9.912926
9.673925
C
6
H
5
N(CH
3
)(C
2
H
5
)
9.84788
9.522402
C
6
H
5
NH(C
2
H
5
)
9.618053
9.592654
C
6
H
5
NHCH
3
9.457608
9.44481
C
6
H
5
CH
2
NH
2
9.401235
8.976198
2-(OH)C
6
H
4
NH
2
9.28849
9.197386
3-(OH)C
6
H
4
NH
2
9.28849
9.197251
4-CH
3
C
6
H
4
NH
2
9.266808
9.06326
3-CH
3
C
6
H
4
NH
2
9.253799
9.04584
3-CH
3
C
6
H
4
N(CH
3
)
2
9.253799
9.044886
1,2-C
6
H
4
(NH
2
)
2
9.22778
9.031081
4-ClC
6
H
4
NH
2
9.045653
8.720894
3-BrC
6
H
4
NH
2
9.023971
8.683775
4-FC
6
H
4
NH
2
9.023971
8.763088
3-CF
3
C
6
H
4
NH
2
8.854853
8.674228
TABLE 10.6
Experimental PA (eV), calculated PA (eV), and
R
2
for the Set 5
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