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	hartrees
Energy at 0K	-191.287176
Energy at 298.15K	-191.289081
HF Energy	-190.962689
Nuclear repulsion energy	90.134063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3163	1.21
2	A'	3279	3158	9.60
3	A'	1636	1576	11.56
4	A'	1313	1265	1.12
5	A'	1241	1195	3.50
6	A'	1017	979	106.96
7	A'	805	775	40.11
8	A'	407	392	1.93
9	A'	250	241	10.54
10	A"	938	904	101.55
11	A"	756	728	3.20
12	A"	253	244	4.21

Atom	x (Å)	y (Å)
C1	0.000	0.486
C2	1.061	-0.357
Cl3	-1.700	-0.154
F4	2.376	0.192
H5	0.088	1.570
H6	1.057	-1.445

	C1	C2	Cl3	F4	H5	H6
C1		1.3544	1.8162	2.3945	1.0885	2.2008
C2	1.3544		2.7677	1.4256	2.1586	1.0880
Cl3	1.8162	2.7677		4.0908	2.4843	3.0438
F4	2.3945	1.4256	4.0908		2.6714	2.1022
H5	1.0885	2.1586	2.4843	2.6714		3.1670
H6	2.2008	1.0880	3.0438	2.1022	3.1670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	118.909	C1	C2	H6	128.269
C2	C1	Cl3	120.913	C2	C1	H5	123.805
Cl3	C1	H5	115.282	F4	C2	H6	112.821

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

using model chemistry: MP2/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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