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	hartrees
Energy at 0K	-634.002434
Energy at 298.15K	-634.004725
HF Energy	-633.853633
Nuclear repulsion energy	144.317524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3298	8.21
2	A'	3257	3257	2.61
3	A'	1729	1729	35.95
4	A'	1426	1426	12.62
5	A'	1308	1308	10.55
6	A'	1090	1090	61.87
7	A'	805	805	12.16
8	A'	660	660	24.83
9	A'	196	196	1.58
10	A"	970	970	0.18
11	A"	793	793	52.69
12	A"	472	472	9.57

Atom	x (Å)	y (Å)
C1	0.000	0.896
C2	1.243	0.436
Cl3	-1.371	-0.174
F4	1.552	-0.897
H5	-0.218	1.950
H6	2.102	1.091

	C1	C2	Cl3	F4	H5	H6
C1		1.3255	1.7391	2.3714	1.0773	2.1115
C2	1.3255		2.6850	1.3689	2.1046	1.0801
Cl3	1.7391	2.6850		3.0117	2.4171	3.6969
F4	2.3714	1.3689	3.0117		3.3533	2.0630
H5	1.0773	2.1046	2.4171	3.3533		2.4747
H6	2.1115	1.0801	3.6969	2.0630	2.4747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.310	C1	C2	H6	122.413
C2	C1	Cl3	121.780	C2	C1	H5	121.965
Cl3	C1	H5	116.255	F4	C2	H6	114.277

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

using model chemistry: B2PLYP=FULL/3-21G*

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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