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	hartrees
Energy at 0K	-634.360183
Energy at 298.15K	-634.362266
HF Energy	-634.360183
Nuclear repulsion energy	138.785464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3140	8.45
2	A'	3234	3111	3.71
3	A'	1719	1654	16.37
4	A'	1370	1318	1.31
5	A'	1271	1223	3.42
6	A'	1153	1109	101.36
7	A'	848	816	47.49
8	A'	441	424	1.65
9	A'	274	264	5.99
10	A"	974	937	64.01
11	A"	856	824	27.42
12	A"	275	265	1.70

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.021	-0.362
Cl3	-1.649	-0.091
F4	2.318	0.078
H5	0.122	1.555
H6	0.914	-1.439

	C1	C2	Cl3	F4	H5	H6
C1		1.3247	1.7453	2.3533	1.0794	2.1276
C2	1.3247		2.6830	1.3702	2.1173	1.0822
Cl3	1.7453	2.6830		3.9704	2.4169	2.8953
F4	2.3533	1.3702	3.9704		2.6470	2.0673
H5	1.0794	2.1173	2.4169	2.6470		3.0969
H6	2.1276	1.0822	2.8953	2.0673	3.0969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.667	C1	C2	H6	123.931
C2	C1	Cl3	121.229	C2	C1	H5	123.132
Cl3	C1	H5	115.640	F4	C2	H6	114.402

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

using model chemistry: B3LYP/3-21G*

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	-0.380
2	C	0.142
3	Cl	0.021
4	F	-0.264
5	H	0.257
6	H	0.224

	x	y	z	Total
	0.213	-0.144	0.000	0.257
CHELPG
AIM
ESP

	x	y	z
x	6.765	-0.296	0.000
y	-0.296	3.793	0.000
z	0.000	0.000	1.678

<r²>	127.153
(<r²>)^1/2	11.276