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	hartrees
Energy at 0K	-636.279027
Energy at 298.15K	-636.281200
HF Energy	-635.776773
Nuclear repulsion energy	140.539105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3368	3111	6.36
2	A'	3357	3101	6.78
3	A'	1831	1692	25.92
4	A'	1397	1291	0.10
5	A'	1316	1216	5.16
6	A'	1222	1129	170.74
7	A'	937	865	51.07
8	A'	472	436	2.04
9	A'	286	264	7.28
10	A"	989	914	54.64
11	A"	864	798	16.38
12	A"	290	268	2.73

Atom	x (Å)	y (Å)
C1	0.000	0.471
C2	1.019	-0.365
Cl3	-1.628	-0.096
F4	2.276	0.099
H5	0.124	1.541
H6	0.957	-1.441

	C1	C2	Cl3	F4	H5	H6
C1		1.3183	1.7244	2.3065	1.0771	2.1386
C2	1.3183		2.6614	1.3398	2.1058	1.0783
Cl3	1.7244	2.6614		3.9096	2.3980	2.9147
F4	2.3065	1.3398	3.9096		2.5909	2.0280
H5	1.0771	2.1058	2.3980	2.5909		3.0966
H6	2.1386	1.0783	2.9147	2.0280	3.0966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.390	C1	C2	H6	126.050
C2	C1	Cl3	121.442	C2	C1	H5	122.753
Cl3	C1	H5	115.805	F4	C2	H6	113.559

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

using model chemistry: CID/6-31G*

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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