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	hartrees
Energy at 0K	-636.360758
Energy at 298.15K	-636.362832
HF Energy	-635.787485
Nuclear repulsion energy	139.700839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3129	0.79
2	A'	3320	3123	13.45
3	A'	1717	1615	19.47
4	A'	1344	1264	0.10
5	A'	1280	1204	6.93
6	A'	1138	1070	176.30
7	A'	914	859	51.28
8	A'	454	427	1.86
9	A'	274	258	6.78
10	A"	922	867	74.07
11	A"	787	740	4.69
12	A"	272	255	1.38

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.012	-0.393
Cl3	-1.636	-0.067
F4	2.294	0.063
H5	0.150	1.543
H6	0.939	-1.470

	C1	C2	Cl3	F4	H5	H6
C1		1.3331	1.7229	2.3303	1.0787	2.1595
C2	1.3331		2.6678	1.3605	2.1191	1.0794
Cl3	1.7229	2.6678		3.9316	2.4040	2.9325
F4	2.3303	1.3605	3.9316		2.6046	2.0460
H5	1.0787	2.1191	2.4040	2.6046		3.1144
H6	2.1595	1.0794	2.9325	2.0460	3.1144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.793	C1	C2	H6	126.732
C2	C1	Cl3	121.088	C2	C1	H5	122.608
Cl3	C1	H5	116.304	F4	C2	H6	113.475

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

using model chemistry: MP2/6-31+G**

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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