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	hartrees
Energy at 0K	-637.049107
Energy at 298.15K	-637.051096
HF Energy	-637.049107
Nuclear repulsion energy	138.929316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3140	7.74
2	A'	3139	3121	5.61
3	A'	1662	1652	20.86
4	A'	1261	1254	0.10
5	A'	1168	1162	1.39
6	A'	1129	1123	167.25
7	A'	857	853	53.45
8	A'	438	436	1.40
9	A'	259	257	4.92
10	A"	883	878	48.92
11	A"	756	751	12.63
12	A"	265	263	0.79

Atom	x (Å)	y (Å)
C1	0.000	0.481
C2	1.030	-0.378
Cl3	-1.646	-0.079
F4	2.303	0.069
H5	0.135	1.571
H6	0.940	-1.475

	C1	C2	Cl3	F4	H5	H6
C1		1.3416	1.7388	2.3398	1.0984	2.1703
C2	1.3416		2.6933	1.3493	2.1452	1.1007
Cl3	1.7388	2.6933		3.9523	2.4278	2.9391
F4	2.3398	1.3493	3.9523		2.6377	2.0601
H5	1.0984	2.1452	2.4278	2.6377		3.1509
H6	2.1703	1.1007	2.9391	2.0601	3.1509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.810	C1	C2	H6	125.112
C2	C1	Cl3	121.398	C2	C1	H5	122.771
Cl3	C1	H5	115.832	F4	C2	H6	114.078

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.126
2	C	0.206
3	Cl	-0.047
4	F	-0.131
5	H	0.067
6	H	0.030

	x	y	z	Total
	0.232	-0.128	0.000	0.265
CHELPG
AIM
ESP

	x	y	z
x	7.326	-0.306	0.000
y	-0.306	4.391	0.000
z	0.000	0.000	2.295

<r²>	126.466
(<r²>)^1/2	11.246