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	hartrees
Energy at 0K	-637.197422
Energy at 298.15K	-637.199746
HF Energy	-637.197422
Nuclear repulsion energy	150.262570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3302	0.58
2	A'	3196	3196	5.43
3	A'	1730	1730	169.26
4	A'	1400	1400	2.16
5	A'	1208	1208	194.13
6	A'	965	965	37.86
7	A'	714	714	42.83
8	A'	441	441	1.26
9	A'	378	378	0.00
10	A"	867	867	59.28
11	A"	727	727	0.04
12	A"	545	545	2.76

Atom	x (Å)	y (Å)
C1	0.000	0.448
C2	-0.999	1.307
F3	1.268	0.826
Cl4	-0.153	-1.252
H5	-0.791	2.367
H6	-2.019	0.959

	C1	C2	F3	Cl4	H5	H6
C1		1.3173	1.3229	1.7077	2.0753	2.0823
C2	1.3173		2.3176	2.6955	1.0803	1.0775
F3	1.3229	2.3176		2.5177	2.5719	3.2894
Cl4	1.7077	2.6955	2.5177		3.6752	2.8929
H5	2.0753	1.0803	2.5719	3.6752		1.8684
H6	2.0823	1.0775	3.2894	2.8929	1.8684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.565	C1	C2	H6	120.467
C2	C1	F3	122.751	C2	C1	Cl4	125.525
F3	C1	Cl4	111.724	H5	C2	H6	119.968

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	C	0.395
2	C	-0.189
3	F	-0.379
4	Cl	-0.122
5	H	0.144
6	H	0.152

	x	y	z	Total
	-1.133	0.630	0.000	1.297
CHELPG
AIM
ESP

	x	y	z
x	5.986	-0.880	0.000
y	-0.880	7.683	0.000
z	0.000	0.000	4.384

<r²>	94.431
(<r²>)^1/2	9.718

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

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