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	hartrees
Energy at 0K	-634.241498
Energy at 298.15K	-634.243520
HF Energy	-634.241498
Nuclear repulsion energy	136.815865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3185	8.69
2	A'	3241	3128	1.89
3	A'	1726	1665	17.67
4	A'	1371	1322	1.34
5	A'	1231	1188	2.89
6	A'	1144	1104	100.99
7	A'	793	765	49.26
8	A'	422	407	2.40
9	A'	262	253	6.67
10	A"	974	940	62.03
11	A"	843	813	41.46
12	A"	268	258	2.17

Atom	x (Å)	y (Å)
C1	0.000	0.519
C2	1.056	-0.274
Cl3	-1.667	-0.220
F4	2.332	0.226
H5	0.014	1.595
H6	0.999	-1.354

	C1	C2	Cl3	F4	H5	H6
C1		1.3204	1.8233	2.3506	1.0766	2.1228
C2	1.3204		2.7235	1.3710	2.1402	1.0817
Cl3	1.8233	2.7235		4.0242	2.4739	2.8976
F4	2.3506	1.3710	4.0242		2.6925	2.0676
H5	1.0766	2.1402	2.4739	2.6925		3.1097
H6	2.1228	1.0817	2.8976	2.0676	3.1097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.697	C1	C2	H6	123.894
C2	C1	Cl3	119.205	C2	C1	H5	126.161
Cl3	C1	H5	114.634	F4	C2	H6	114.408

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	-0.462
2	C	0.161
3	Cl	0.063
4	F	-0.259
5	H	0.268
6	H	0.230

	x	y	z	Total
	0.606	0.007	0.000	0.606
CHELPG
AIM
ESP

	x	y	z
x	6.825	0.082	0.000
y	0.082	3.583	0.000
z	0.000	0.000	1.354

<r²>	130.453
(<r²>)^1/2	11.422