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	hartrees
Energy at 0K	-51.526203
Energy at 298.15K	-51.528170
HF Energy	-51.526203
Nuclear repulsion energy	54.955714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3153	4.43
2	A'	3222	3140	8.55
3	A'	1656	1614	12.71
4	A'	1298	1265	1.43
5	A'	1224	1193	3.64
6	A'	1047	1021	138.84
7	A'	815	795	62.22
8	A'	415	404	1.92
9	A'	256	250	9.05
10	A"	919	896	102.06
11	A"	786	766	9.62
12	A"	256	249	3.05

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	1.061	-0.333
Cl3	-1.686	-0.181
F4	2.354	0.220
H5	0.053	1.571
H6	1.069	-1.417

	C1	C2	Cl3	F4	H5	H6
C1		1.3422	1.8150	2.3693	1.0828	2.1856
C2	1.3422		2.7514	1.4062	2.1543	1.0842
Cl3	1.8150	2.7514		4.0602	2.4688	3.0196
F4	2.3693	1.4062	4.0602		2.6688	2.0808
H5	1.0828	2.1543	2.4688	2.6688		3.1560
H6	2.1856	1.0842	3.0196	2.0808	3.1560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.089	C1	C2	H6	128.202
C2	C1	Cl3	120.526	C2	C1	H5	125.000
Cl3	C1	H5	114.474	F4	C2	H6	112.709

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

using model chemistry: B3LYP/CEP-121G

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	-0.316
2	C	0.137
3	Cl	0.021
4	F	-0.219
5	H	0.212
6	H	0.166

	x	y	z	Total
	-0.220	-0.244	0.000	0.329
CHELPG
AIM
ESP

	x	y	z
x	7.721	-0.060	0.000
y	-0.060	4.180	0.000
z	0.000	0.000	2.251

<r²>	89.708
(<r²>)^1/2	9.471