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	hartrees
Energy at 0K	-637.097436
Energy at 298.15K
HF Energy	-636.904435
Nuclear repulsion energy	144.960900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3298	8.78
2	A'	3264	3264	4.05
3	A'	1746	1746	55.21
4	A'	1390	1390	25.06
5	A'	1284	1284	29.20
6	A'	1103	1103	83.07
7	A'	825	825	17.70
8	A'	666	666	22.19
9	A'	199	199	1.33
10	A"	892	892	0.04
11	A"	768	768	37.96
12	A"	457	457	7.95

Atom	x (Å)	y (Å)
C1	0.000	0.873
C2	1.250	0.424
Cl3	-1.379	-0.169
F4	1.560	-0.878
H5	-0.210	1.931
H6	2.112	1.078

	C1	C2	Cl3	F4	H5	H6
C1		1.3285	1.7284	2.3450	1.0786	2.1215
C2	1.3285		2.6955	1.3385	2.0982	1.0814
Cl3	1.7284	2.6955		3.0231	2.4035	3.7067
F4	2.3450	1.3385	3.0231		3.3199	2.0327
H5	1.0786	2.0982	2.4035	3.3199		2.4730
H6	2.1215	1.0814	3.7067	2.0327	2.4730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.105	C1	C2	H6	123.036
C2	C1	Cl3	123.183	C2	C1	H5	120.959
Cl3	C1	H5	115.857	F4	C2	H6	113.859

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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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