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	hartrees
Energy at 0K	-637.294230
Energy at 298.15K	-637.296540
HF Energy	-637.016517
Nuclear repulsion energy	149.463992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3174	0.59
2	A'	3210	3080	4.36
3	A'	1712	1643	153.80
4	A'	1418	1360	2.28
5	A'	1196	1148	179.12
6	A'	963	924	47.68
7	A'	699	670	44.17
8	A'	435	417	1.17
9	A'	373	358	0.02
10	A"	871	836	56.49
11	A"	729	700	0.11
12	A"	538	516	2.03

Atom	x (Å)	y (Å)
C1	0.000	0.453
C2	-0.995	1.319
F3	1.279	0.827
Cl4	-0.162	-1.260
H5	-0.779	2.374
H6	-2.012	0.975

	C1	C2	F3	Cl4	H5	H6
C1		1.3190	1.3322	1.7211	2.0725	2.0787
C2	1.3190		2.3265	2.7107	1.0767	1.0739
F3	1.3322	2.3265		2.5357	2.5743	3.2944
Cl4	1.7211	2.7107	2.5357		3.6862	2.9018
H5	2.0725	1.0767	2.5743	3.6862		1.8652
H6	2.0787	1.0739	3.2944	2.9018	1.8652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.437	C1	C2	H6	120.272
C2	C1	F3	122.693	C2	C1	Cl4	125.643
F3	C1	Cl4	111.664	H5	C2	H6	120.291

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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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All results from a given calculation for C2H2ClF (1-chloro-1-fluoroethylene)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)