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	hartrees
Energy at 0K	-192.152308
Energy at 298.15K	-192.154266
HF Energy	-192.152308
Nuclear repulsion energy	91.237894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3165	7.29
2	A'	3273	3146	6.78
3	A'	1690	1625	12.45
4	A'	1314	1263	1.14
5	A'	1237	1189	1.87
6	A'	1060	1019	129.82
7	A'	813	782	55.73
8	A'	416	400	1.79
9	A'	256	246	8.94
10	A"	943	907	112.97
11	A"	808	776	7.87
12	A"	258	248	3.25

Atom	x (Å)	y (Å)
C1	0.000	0.488
C2	1.054	-0.334
Cl3	-1.680	-0.169
F4	2.348	0.199
H5	0.059	1.568
H6	1.042	-1.418

	C1	C2	Cl3	F4	H5	H6
C1		1.3369	1.8036	2.3653	1.0818	2.1723
C2	1.3369		2.7391	1.3985	2.1471	1.0844
Cl3	1.8036	2.7391		4.0440	2.4575	2.9945
F4	2.3653	1.3985	4.0440		2.6674	2.0783
H5	1.0818	2.1471	2.4575	2.6674		3.1442
H6	2.1723	1.0844	2.9945	2.0783	3.1442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.679	C1	C2	H6	127.268
C2	C1	Cl3	120.704	C2	C1	H5	124.834
Cl3	C1	H5	114.462	F4	C2	H6	113.053

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

using model chemistry: B3LYP/LANL2DZ

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	-0.316
2	C	0.072
3	Cl	-0.043
4	F	-0.226
5	H	0.274
6	H	0.239

	x	y	z	Total
	-0.193	-0.257	0.000	0.321
CHELPG
AIM
ESP

	x	y	z
x	7.010	-0.088	0.000
y	-0.088	3.433	0.000
z	0.000	0.000	1.605

<r²>	102.950
(<r²>)^1/2	10.146