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	hartrees
Energy at 0K	-634.207351
Energy at 298.15K	-634.209611
HF Energy	-634.207351
Nuclear repulsion energy	145.912062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3189	1.70
2	A'	3236	3089	8.34
3	A'	1780	1700	131.60
4	A'	1486	1418	3.92
5	A'	1232	1176	189.19
6	A'	1000	955	23.36
7	A'	627	598	62.23
8	A'	412	393	0.25
9	A'	354	338	0.75
10	A"	963	919	103.70
11	A"	740	706	0.47
12	A"	539	514	0.35

Atom	x (Å)	y (Å)
C1	0.000	0.506
C2	-1.065	1.276
F3	1.281	0.920
Cl4	-0.126	-1.304
H5	-0.952	2.351
H6	-2.054	0.847

	C1	C2	F3	Cl4	H5	H6
C1		1.3139	1.3463	1.8142	2.0761	2.0819
C2	1.3139		2.3728	2.7452	1.0814	1.0781
F3	1.3463	2.3728		2.6312	2.6522	3.3358
Cl4	1.8142	2.7452	2.6312		3.7471	2.8885
H5	2.0761	1.0814	2.6522	3.7471		1.8649
H6	2.0819	1.0781	3.3358	2.8885	1.8649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.857	C1	C2	H6	120.692
C2	C1	F3	126.239	C2	C1	Cl4	121.894
F3	C1	Cl4	111.867	H5	C2	H6	119.451

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

using model chemistry: mPW1PW91/3-21G

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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Number	Element	Mulliken
1	C	0.084
2	C	-0.464
3	F	-0.250
4	Cl	0.101
5	H	0.266
6	H	0.263

	x	y	z	Total
	-1.301	1.404	0.000	1.914
CHELPG
AIM
ESP

	x	y	z
x	4.187	-0.789	0.000
y	-0.789	6.169	0.000
z	0.000	0.000	1.383

<r²>	99.130
(<r²>)^1/2	9.956

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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