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	hartrees
Energy at 0K	-50.647373
Energy at 298.15K	-50.649589
HF Energy	-50.647373
Nuclear repulsion energy	56.645683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3460	3107	1.72
2	A'	3449	3097	20.41
3	A'	1885	1693	41.98
4	A'	1431	1285	0.05
5	A'	1339	1203	3.94
6	A'	1251	1123	257.84
7	A'	947	850	71.65
8	A'	478	430	2.23
9	A'	289	260	8.21
10	A"	1039	933	73.98
11	A"	900	808	14.42
12	A"	296	266	2.60

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	1.032	-0.360
Cl3	-1.635	-0.108
F4	2.281	0.103
H5	0.109	1.560
H6	0.973	-1.436

	C1	C2	Cl3	F4	H5	H6
C1		1.3368	1.7410	2.3131	1.0763	2.1573
C2	1.3368		2.6793	1.3316	2.1308	1.0776
Cl3	1.7410	2.6793		3.9215	2.4135	2.9266
F4	2.3131	1.3316	3.9215		2.6153	2.0197
H5	1.0763	2.1308	2.4135	2.6153		3.1184
H6	2.1573	1.0776	2.9266	2.0197	3.1184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.185	C1	C2	H6	126.300
C2	C1	Cl3	120.465	C2	C1	H5	123.658
Cl3	C1	H5	115.877	F4	C2	H6	113.515

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.147
2	C	-0.009
3	Cl	-0.149
4	F	-0.223
5	H	0.280
6	H	0.248

	x	y	z	Total
	0.186	-0.252	0.000	0.313
CHELPG
AIM
ESP

	x	y	z
x	6.880	-0.506	0.000
y	-0.506	3.975	0.000
z	0.000	0.000	2.381

<r²>	84.986
(<r²>)^1/2	9.219