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	hartrees
Energy at 0K	-637.426376
Energy at 298.15K	-637.428450
HF Energy	-637.426376
Nuclear repulsion energy	140.121330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3122	9.57
2	A'	3214	3101	5.41
3	A'	1713	1653	27.78
4	A'	1334	1287	0.43
5	A'	1229	1186	0.96
6	A'	1175	1134	166.78
7	A'	871	841	52.32
8	A'	450	434	1.54
9	A'	269	260	5.60
10	A"	942	909	38.96
11	A"	814	785	11.96
12	A"	275	265	1.45

Atom	x (Å)	y (Å)
C1	0.000	0.481
C2	1.029	-0.354
Cl3	-1.634	-0.104
F4	2.282	0.098
H5	0.106	1.557
H6	0.956	-1.435

	C1	C2	Cl3	F4	H5	H6
C1		1.3253	1.7355	2.3140	1.0812	2.1416
C2	1.3253		2.6746	1.3318	2.1221	1.0841
Cl3	1.7355	2.6746		3.9210	2.4057	2.9116
F4	2.3140	1.3318	3.9210		2.6197	2.0275
H5	1.0812	2.1221	2.4057	2.6197		3.1107
H6	2.1416	1.0841	2.9116	2.0275	3.1107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.119	C1	C2	H6	125.163
C2	C1	Cl3	121.237	C2	C1	H5	123.411
Cl3	C1	H5	115.352	F4	C2	H6	113.718

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.154
2	C	0.065
3	Cl	-0.121
4	F	-0.077
5	H	0.154
6	H	0.133

	x	y	z	Total
	0.359	-0.082	0.000	0.369
CHELPG
AIM
ESP

	x	y	z
x	7.423	-0.322	0.000
y	-0.322	4.599	0.000
z	0.000	0.000	2.944

<r²>	124.739
(<r²>)^1/2	11.169