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	hartrees
Energy at 0K	-51.176734
Energy at 298.15K	-51.178743
HF Energy	-50.645109
Nuclear repulsion energy	55.848847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3121	1.21
2	A'	3277	3111	15.05
3	A'	1696	1610	22.85
4	A'	1314	1248	0.13
5	A'	1241	1178	4.45
6	A'	1144	1086	186.71
7	A'	903	857	51.21
8	A'	445	422	1.92
9	A'	265	251	7.17
10	A"	908	862	93.60
11	A"	740	702	3.95
12	A"	270	256	1.55

Atom	x (Å)	y (Å)
C1	0.000	0.497
C2	1.027	-0.404
Cl3	-1.651	-0.060
F4	2.313	0.042
H5	0.151	1.579
H6	0.940	-1.493

	C1	C2	Cl3	F4	H5	H6
C1		1.3661	1.7425	2.3572	1.0922	2.2009
C2	1.3661		2.6999	1.3611	2.1673	1.0924
Cl3	1.7425	2.6999		3.9652	2.4360	2.9609
F4	2.3572	1.3611	3.9652		2.6520	2.0593
H5	1.0922	2.1673	2.4360	2.6520		3.1712
H6	2.2009	1.0924	2.9609	2.0593	3.1712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.607	C1	C2	H6	126.707
C2	C1	Cl3	120.091	C2	C1	H5	123.296
Cl3	C1	H5	116.613	F4	C2	H6	113.686

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

using model chemistry: MP2/CEP-31G*

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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