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	hartrees
Energy at 0K	-634.293806
Energy at 298.15K	-634.295936
HF Energy	-634.293806
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3120	9.60
2	A'	3262	3092	2.33
3	A'	1757	1665	19.57
4	A'	1385	1313	1.65
5	A'	1292	1224	2.13
6	A'	1171	1110	106.80
7	A'	879	833	44.92
8	A'	452	429	1.78
9	A'	281	267	6.28
10	A"	983	932	68.79
11	A"	883	837	34.69
12	A"	280	266	2.17

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.015	-0.364
Cl3	-1.641	-0.085
F4	2.309	0.069
H5	0.127	1.554
H6	0.904	-1.440

	C1	C2	Cl3	F4	H5	H6
C1		1.3212	1.7365	2.3460	1.0792	2.1245
C2	1.3212		2.6709	1.3651	2.1131	1.0819
Cl3	1.7365	2.6709		3.9538	2.4109	2.8845
F4	2.3460	1.3651	3.9538		2.6391	2.0620
H5	1.0792	2.1131	2.4109	2.6391		3.0931
H6	2.1245	1.0819	2.8845	2.0620	3.0931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.684	C1	C2	H6	123.969
C2	C1	Cl3	121.138	C2	C1	H5	123.037
Cl3	C1	H5	115.825	F4	C2	H6	114.347

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

using model chemistry: wB97X-D/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	-0.422
2	C	0.136
3	Cl	0.025
4	F	-0.279
5	H	0.288
6	H	0.252

	x	y	z	Total
	0.199	-0.173	0.000	0.264
CHELPG
AIM
ESP

	x	y	z
x	6.617	-0.342	0.000
y	-0.342	3.768	0.000
z	0.000	0.000	1.669

<r²>	126.298
(<r²>)^1/2	11.238