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	hartrees
Energy at 0K	-636.449893
Energy at 298.15K	-636.451983
HF Energy	-635.843821
Nuclear repulsion energy	140.060881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3110	6.49
2	A'	3265	3103	7.49
3	A'	1713	1628	24.48
4	A'	1339	1273	0.30
5	A'	1270	1207	4.12
6	A'	1170	1111	166.83
7	A'	913	867	52.07
8	A'	458	435	2.20
9	A'	276	262	6.09
10	A"	928	882	71.85
11	A"	787	748	11.97
12	A"	276	262	1.30

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.021	-0.379
Cl3	-1.633	-0.075
F4	2.286	0.065
H5	0.139	1.551
H6	0.935	-1.459

	C1	C2	Cl3	F4	H5	H6
C1		1.3323	1.7245	2.3228	1.0820	2.1507
C2	1.3323		2.6714	1.3406	2.1212	1.0836
Cl3	1.7245	2.6714		3.9217	2.4053	2.9177
F4	2.3228	1.3406	3.9217		2.6108	2.0361
H5	1.0820	2.1212	2.4053	2.6108		3.1132
H6	2.1507	1.0836	2.9177	2.0361	3.1132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.684	C1	C2	H6	125.479
C2	C1	Cl3	121.299	C2	C1	H5	122.613
Cl3	C1	H5	116.088	F4	C2	H6	113.837

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

using model chemistry: MP2/6-311G*

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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