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	hartrees
Energy at 0K	-637.354316
Energy at 298.15K	-637.356459
HF Energy	-637.354316
Nuclear repulsion energy	146.957263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3198	0.39
2	A'	3128	3102	2.26
3	A'	1669	1655	135.42
4	A'	1391	1379	4.07
5	A'	1159	1149	185.17
6	A'	935	927	37.23
7	A'	650	644	55.95
8	A'	413	410	0.29
9	A'	359	356	0.15
10	A"	793	787	58.31
11	A"	695	689	0.65
12	A"	504	500	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.469
C2	-1.024	1.328
F3	1.290	0.856
Cl4	-0.152	-1.286
H5	-0.824	2.401
H6	-2.053	0.975

	C1	C2	F3	Cl4	H5	H6
C1		1.3365	1.3470	1.7616	2.1004	2.1143
C2	1.3365		2.3617	2.7555	1.0910	1.0881
F3	1.3470	2.3617		2.5826	2.6187	3.3453
Cl4	1.7616	2.7555	2.5826		3.7475	2.9534
H5	2.1004	1.0910	2.6187	3.7475		1.8823
H6	2.1143	1.0881	3.3453	2.9534	1.8823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.473	C1	C2	H6	121.045
C2	C1	F3	123.296	C2	C1	Cl4	125.037
F3	C1	Cl4	111.667	H5	C2	H6	119.482

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.241
2	C	-0.344
3	F	-0.215
4	Cl	0.000
5	H	0.157
6	H	0.160

	x	y	z	Total
	-0.910	0.853	0.000	1.247
CHELPG
AIM
ESP

	x	y	z
x	4.792	-0.815	0.000
y	-0.815	6.800	0.000
z	0.000	0.000	2.210

<r²>	97.699
(<r²>)^1/2	9.884

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

using model chemistry: BLYP/6-31G*

States and conformations

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