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	hartrees
Energy at 0K	-635.789200
Energy at 298.15K	-635.791459
HF Energy	-635.789200
Nuclear repulsion energy	141.023978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3431	3102	1.11
2	A'	3419	3091	15.58
3	A'	1881	1701	37.18
4	A'	1441	1303	0.18
5	A'	1359	1229	5.42
6	A'	1241	1122	235.44
7	A'	948	858	70.57
8	A'	485	438	2.07
9	A'	297	268	8.09
10	A"	1045	945	67.25
11	A"	940	850	21.62
12	A"	300	271	2.36

Atom	x (Å)	y (Å)
C1	0.000	0.470
C2	1.025	-0.345
Cl3	-1.624	-0.122
F4	2.264	0.134
H5	0.103	1.536
H6	0.983	-1.415

	C1	C2	Cl3	F4	H5	H6
C1		1.3099	1.7289	2.2886	1.0711	2.1265
C2	1.3099		2.6589	1.3278	2.0952	1.0713
Cl3	1.7289	2.6589		3.8964	2.3946	2.9104
F4	2.2886	1.3278	3.8964		2.5759	2.0102
H5	1.0711	2.0952	2.3946	2.5759		3.0802
H6	2.1265	1.0713	2.9104	2.0102	3.0802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.370	C1	C2	H6	126.225
C2	C1	Cl3	121.474	C2	C1	H5	122.967
Cl3	C1	H5	115.559	F4	C2	H6	113.406

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

using model chemistry: HF/6-31+G**

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	-0.253
2	C	0.201
3	Cl	0.015
4	F	-0.358
5	H	0.213
6	H	0.182

	x	y	z	Total
	0.090	-0.241	0.000	0.257
CHELPG
AIM
ESP

	x	y	z
x	7.101	-0.498	0.000
y	-0.498	4.505	0.000
z	0.000	0.000	3.256

<r²>	124.179
(<r²>)^1/2	11.144