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	hartrees
Energy at 0K	-637.528509
Energy at 298.15K	-637.530580
HF Energy	-637.528509
Nuclear repulsion energy	139.973158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3119	5.38
2	A'	3218	3113	9.07
3	A'	1696	1641	25.03
4	A'	1323	1280	0.56
5	A'	1239	1199	2.21
6	A'	1128	1092	196.45
7	A'	866	838	58.80
8	A'	446	432	1.39
9	A'	271	262	5.76
10	A"	922	892	57.91
11	A"	822	796	8.02
12	A"	270	262	1.18

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.025	-0.358
Cl3	-1.635	-0.107
F4	2.285	0.114
H5	0.110	1.547
H6	0.970	-1.437

	C1	C2	Cl3	F4	H5	H6
C1		1.3202	1.7353	2.3133	1.0783	2.1429
C2	1.3202		2.6716	1.3458	2.1134	1.0797
Cl3	1.7353	2.6716		3.9263	2.4042	2.9248
F4	2.3133	1.3458	3.9263		2.6048	2.0330
H5	1.0783	2.1134	2.4042	2.6048		3.1050
H6	2.1429	1.0797	2.9248	2.0330	3.1050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.378	C1	C2	H6	126.185
C2	C1	Cl3	121.347	C2	C1	H5	123.238
Cl3	C1	H5	115.415	F4	C2	H6	113.437

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

using model chemistry: B3LYP/aug-cc-pVTZ

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	-0.286
2	C	-0.088
3	Cl	-0.150
4	F	-0.380
5	H	0.404
6	H	0.501

	x	y	z	Total
	0.005	-0.137	0.000	0.138
CHELPG
AIM
ESP

	x	y	z
x	8.467	-0.325	0.000
y	-0.325	5.583	0.000
z	0.000	0.000	4.462

<r²>	125.489
(<r²>)^1/2	11.202