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	hartrees
Energy at 0K	-637.057890
Energy at 298.15K	-637.059980
HF Energy	-637.057890
Nuclear repulsion energy	140.366659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3116	8.82
2	A'	3259	3097	5.83
3	A'	1756	1669	27.22
4	A'	1342	1276	0.05
5	A'	1259	1196	1.87
6	A'	1204	1144	172.05
7	A'	904	859	54.81
8	A'	459	436	1.72
9	A'	273	260	5.63
10	A"	942	895	53.37
11	A"	810	770	17.56
12	A"	279	265	1.36

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.023	-0.369
Cl3	-1.631	-0.086
F4	2.279	0.081
H5	0.125	1.551
H6	0.946	-1.452

	C1	C2	Cl3	F4	H5	H6
C1		1.3265	1.7243	2.3128	1.0833	2.1462
C2	1.3265		2.6690	1.3337	2.1200	1.0854
Cl3	1.7243	2.6690		3.9130	2.4002	2.9159
F4	2.3128	1.3337	3.9130		2.6081	2.0312
H5	1.0833	2.1200	2.4002	2.6081		3.1129
H6	2.1462	1.0854	2.9159	2.0312	3.1129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.776	C1	C2	H6	125.412
C2	C1	Cl3	121.503	C2	C1	H5	122.898
Cl3	C1	H5	115.599	F4	C2	H6	113.813

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

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	C	-0.367
2	C	0.191
3	Cl	0.010
4	F	-0.259
5	H	0.234
6	H	0.192

	x	y	z	Total
	0.357	-0.149	0.000	0.387
CHELPG
AIM
ESP

	x	y	z
x	6.925	-0.347	0.000
y	-0.347	4.119	0.000
z	0.000	0.000	2.202

<r²>	124.331
(<r²>)^1/2	11.150