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	hartrees
Energy at 0K	-637.157211
Energy at 298.15K
HF Energy	-636.916630
Nuclear repulsion energy	140.462311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3267	9.58
2	A'	3251	3251	5.21
3	A'	1719	1719	28.29
4	A'	1344	1344	0.49
5	A'	1240	1240	2.06
6	A'	1185	1185	162.41
7	A'	889	889	48.69
8	A'	455	455	1.62
9	A'	271	271	5.72
10	A"	951	951	39.82
11	A"	818	818	12.03
12	A"	278	278	1.52

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.023	-0.360
Cl3	-1.629	-0.094
F4	2.277	0.083
H5	0.117	1.555
H6	0.941	-1.439

	C1	C2	Cl3	F4	H5	H6
C1		1.3253	1.7279	2.3120	1.0791	2.1388
C2	1.3253		2.6655	1.3302	2.1185	1.0816
Cl3	1.7279	2.6655		3.9103	2.4016	2.9003
F4	2.3120	1.3302	3.9103		2.6139	2.0253
H5	1.0791	2.1185	2.4016	2.6139		3.1047
H6	2.1388	1.0816	2.9003	2.0253	3.1047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.069	C1	C2	H6	125.099
C2	C1	Cl3	121.057	C2	C1	H5	123.232
Cl3	C1	H5	115.711	F4	C2	H6	113.832

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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