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	hartrees
Energy at 0K	-637.295150
Energy at 298.15K
HF Energy	-637.001817
Nuclear repulsion energy	140.546352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3247	0.97
2	A'	3241	3241	13.96
3	A'	1699	1699	26.96
4	A'	1334	1334	0.68
5	A'	1251	1251	2.59
6	A'	1146	1146	190.46
7	A'	892	892	54.21
8	A'	455	455	1.59
9	A'	275	275	5.75
10	A"	932	932	57.09
11	A"	831	831	7.64
12	A"	275	275	1.16

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.017	-0.371
Cl3	-1.628	-0.086
F4	2.277	0.082
H5	0.130	1.544
H6	0.945	-1.447

	C1	C2	Cl3	F4	H5	H6
C1		1.3223	1.7214	2.3107	1.0775	2.1413
C2	1.3223		2.6595	1.3396	2.1103	1.0784
Cl3	1.7214	2.6595		3.9084	2.3974	2.9104
F4	2.3107	1.3396	3.9084		2.5974	2.0280
H5	1.0775	2.1103	2.3974	2.5974		3.1001
H6	2.1413	1.0784	2.9104	2.0280	3.1001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.475	C1	C2	H6	125.946
C2	C1	Cl3	121.245	C2	C1	H5	122.807
Cl3	C1	H5	115.948	F4	C2	H6	113.578

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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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