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	hartrees
Energy at 0K	-636.460804
Energy at 298.15K	-636.462863
HF Energy	-635.823152
Nuclear repulsion energy	139.060382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3184	0.97
2	A'	3277	3176	13.70
3	A'	1692	1640	21.74
4	A'	1313	1273	0.53
5	A'	1227	1189	4.37
6	A'	1120	1085	176.79
7	A'	890	863	48.71
8	A'	449	436	1.76
9	A'	269	260	6.21
10	A"	906	878	60.58
11	A"	783	759	5.13
12	A"	271	262	1.22

Atom	x (Å)	y (Å)
C1	0.000	0.488
C2	1.019	-0.385
Cl3	-1.641	-0.078
F4	2.301	0.067
H5	0.138	1.568
H6	0.934	-1.471

	C1	C2	Cl3	F4	H5	H6
C1		1.3414	1.7357	2.3395	1.0894	2.1697
C2	1.3414		2.6776	1.3597	2.1424	1.0896
Cl3	1.7357	2.6776		3.9451	2.4239	2.9274
F4	2.3395	1.3597	3.9451		2.6332	2.0581
H5	1.0894	2.1424	2.4239	2.6332		3.1416
H6	2.1697	1.0896	2.9274	2.0581	3.1416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.030	C1	C2	H6	126.076
C2	C1	Cl3	120.417	C2	C1	H5	123.283
Cl3	C1	H5	116.299	F4	C2	H6	113.894

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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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