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	hartrees
Energy at 0K	-629.882833
Energy at 298.15K	-629.884563
HF Energy	-629.882833
Nuclear repulsion energy	134.970893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3113	16.04
2	A'	3253	3010	5.88
3	A'	1709	1581	9.15
4	A'	1334	1234	0.18
5	A'	1256	1162	24.45
6	A'	1213	1122	29.96
7	A'	876	811	32.52
8	A'	432	400	1.16
9	A'	250	231	2.74
10	A"	929	859	30.56
11	A"	705	652	7.69
12	A"	247	228	0.52

Atom	x (Å)	y (Å)
C1	0.000	0.509
C2	1.075	-0.337
Cl3	-1.696	-0.140
F4	2.373	0.131
H5	0.066	1.613
H6	0.961	-1.449

	C1	C2	Cl3	F4	H5	H6
C1		1.3680	1.8159	2.4026	1.1056	2.1813
C2	1.3680		2.7782	1.3790	2.1951	1.1182
Cl3	1.8159	2.7782		4.0776	2.4853	2.9622
F4	2.4026	1.3790	4.0776		2.7416	2.1183
H5	1.1056	2.1951	2.4853	2.7416		3.1899
H6	2.1813	1.1182	2.9622	2.1183	3.1899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.007	C1	C2	H6	122.335
C2	C1	Cl3	120.876	C2	C1	H5	124.757
Cl3	C1	H5	114.367	F4	C2	H6	115.658

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

using model chemistry: BLYP/STO-3G

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	-0.085
2	C	0.014
3	Cl	-0.110
4	F	-0.018
5	H	0.106
6	H	0.094

	x	y	z	Total
	1.681	0.169	0.000	1.689
CHELPG
AIM
ESP

	x	y	z
x	5.057	-0.063	0.000
y	-0.063	2.196	0.000
z	0.000	0.000	0.485

<r²>	131.724
(<r²>)^1/2	11.477