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	hartrees
Energy at 0K	-633.179786
Energy at 298.15K	-633.181885
HF Energy	-632.734014
Nuclear repulsion energy	138.359302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3121	6.96
2	A'	3268	3098	2.64
3	A'	1701	1612	13.67
4	A'	1391	1318	0.79
5	A'	1299	1231	5.17
6	A'	1151	1091	84.77
7	A'	864	819	41.08
8	A'	444	421	1.81
9	A'	278	263	7.27
10	A"	980	929	65.53
11	A"	846	802	21.15
12	A"	278	263	2.79

Atom	x (Å)	y (Å)
C1	0.000	0.487
C2	1.015	-0.376
Cl3	-1.652	-0.075
F4	2.328	0.055
H5	0.134	1.558
H6	0.900	-1.452

	C1	C2	Cl3	F4	H5	H6
C1		1.3326	1.7444	2.3677	1.0797	2.1378
C2	1.3326		2.6838	1.3820	2.1258	1.0819
Cl3	1.7444	2.6838		3.9817	2.4197	2.8998
F4	2.3677	1.3820	3.9817		2.6593	2.0763
H5	1.0797	2.1258	2.4197	2.6593		3.1063
H6	2.1378	1.0819	2.8998	2.0763	3.1063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.422	C1	C2	H6	124.277
C2	C1	Cl3	120.845	C2	C1	H5	123.244
Cl3	C1	H5	115.912	F4	C2	H6	114.301

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

using model chemistry: MP2=FULL/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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