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	hartrees
Energy at 0K	-633.858042
Energy at 298.15K
HF Energy	-633.738771
Nuclear repulsion energy	142.433375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3329	7.80
2	A'	3255	3255	2.77
3	A'	1741	1741	34.93
4	A'	1408	1408	18.28
5	A'	1282	1282	16.63
6	A'	1077	1077	56.72
7	A'	770	770	8.98
8	A'	613	613	27.96
9	A'	192	192	1.33
10	A"	978	978	0.15
11	A"	790	790	58.74
12	A"	456	456	10.42

Atom	x (Å)	y (Å)
C1	0.000	0.934
C2	1.246	0.494
Cl3	-1.384	-0.248
F4	1.582	-0.832
H5	-0.278	1.972
H6	2.093	1.164

	C1	C2	Cl3	F4	H5	H6
C1		1.3209	1.8193	2.3707	1.0748	2.1058
C2	1.3209		2.7319	1.3683	2.1226	1.0804
Cl3	1.8193	2.7319		3.0223	2.4796	3.7525
F4	2.3707	1.3683	3.0223		3.3648	2.0611
H5	1.0748	2.1226	2.4796	3.3648		2.5050
H6	2.1058	1.0804	3.7525	2.0611	2.5050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.646	C1	C2	H6	122.229
C2	C1	Cl3	120.076	C2	C1	H5	124.429
Cl3	C1	H5	115.495	F4	C2	H6	114.125

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: B2PLYP=FULLultrafine/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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