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	hartrees
Energy at 0K	-50.657209
Energy at 298.15K	-50.659443
HF Energy	-50.657209
Nuclear repulsion energy	56.880153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3426	3095	2.08
2	A'	3416	3086	15.49
3	A'	1849	1670	41.42
4	A'	1429	1291	0.26
5	A'	1345	1215	5.80
6	A'	1244	1124	244.41
7	A'	946	855	71.23
8	A'	481	435	2.21
9	A'	291	263	8.18
10	A"	1036	936	67.78
11	A"	905	818	21.95
12	A"	298	269	2.49

Atom	x (Å)	y (Å)
C1	0.000	0.479
C2	1.030	-0.340
Cl3	-1.631	-0.130
F4	2.273	0.139
H5	0.095	1.548
H6	0.988	-1.413

	C1	C2	Cl3	F4	H5	H6
C1		1.3161	1.7407	2.2983	1.0730	2.1347
C2	1.3161		2.6688	1.3321	2.1071	1.0741
Cl3	1.7407	2.6688		3.9127	2.4069	2.9155
F4	2.2983	1.3321	3.9127		2.5943	2.0155
H5	1.0730	2.1071	2.4069	2.5943		3.0931
H6	2.1347	1.0741	2.9155	2.0155	3.0931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.419	C1	C2	H6	126.231
C2	C1	Cl3	121.003	C2	C1	H5	123.440
Cl3	C1	H5	115.557	F4	C2	H6	113.350

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

using model chemistry: HF/CEP-121G*

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	-0.188
2	C	0.151
3	Cl	-0.135
4	F	-0.289
5	H	0.250
6	H	0.211

	x	y	z	Total
	0.146	-0.226	0.000	0.269
CHELPG
AIM
ESP

	x	y	z
x	6.970	-0.447	0.000
y	-0.447	4.363	0.000
z	0.000	0.000	2.822

<r²>	84.536
(<r²>)^1/2	9.194