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	hartrees
Energy at 0K	-637.489990
Energy at 298.15K	-637.492044
HF Energy	-637.489990
Nuclear repulsion energy	139.590405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3122	8.08
2	A'	3218	3110	7.35
3	A'	1709	1651	24.31
4	A'	1328	1283	0.26
5	A'	1249	1207	3.00
6	A'	1140	1102	183.93
7	A'	863	834	66.47
8	A'	446	431	1.91
9	A'	272	263	6.10
10	A"	924	893	67.30
11	A"	801	774	14.57
12	A"	271	262	1.29

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.033	-0.353
Cl3	-1.641	-0.112
F4	2.291	0.120
H5	0.103	1.549
H6	0.982	-1.435

	C1	C2	Cl3	F4	H5	H6
C1		1.3232	1.7428	2.3182	1.0809	2.1466
C2	1.3232		2.6853	1.3439	2.1181	1.0830
Cl3	1.7428	2.6853		3.9392	2.4091	2.9383
F4	2.3182	1.3439	3.9392		2.6141	2.0321
H5	1.0809	2.1181	2.4091	2.6141		3.1116
H6	2.1466	1.0830	2.9383	2.0321	3.1116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.725	C1	C2	H6	125.991
C2	C1	Cl3	121.682	C2	C1	H5	123.222
Cl3	C1	H5	115.097	F4	C2	H6	113.285

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

using model chemistry: B3LYP/6-311G*

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	-0.364
2	C	0.113
3	Cl	-0.039
4	F	-0.208
5	H	0.272
6	H	0.226

	x	y	z	Total
	0.220	-0.199	0.000	0.297
CHELPG
AIM
ESP

	x	y	z
x	7.367	-0.229	0.000
y	-0.229	4.203	0.000
z	0.000	0.000	2.343

<r²>	126.209
(<r²>)^1/2	11.234