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	hartrees
Energy at 0K	-637.204557
Energy at 298.15K	-637.206844
HF Energy	-636.999354
Nuclear repulsion energy	148.824796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3169	0.36
2	A'	3213	3067	4.24
3	A'	1716	1638	163.99
4	A'	1425	1360	3.26
5	A'	1198	1144	208.02
6	A'	963	919	47.68
7	A'	695	663	49.40
8	A'	436	417	0.97
9	A'	377	360	0.11
10	A"	842	803	64.04
11	A"	724	691	0.17
12	A"	522	498	1.13

Atom	x (Å)	y (Å)
C1	0.000	0.459
C2	-1.000	1.321
F3	1.279	0.838
Cl4	-0.159	-1.269
H5	-0.787	2.378
H6	-2.020	0.978

	C1	C2	F3	Cl4	H5	H6
C1		1.3202	1.3343	1.7348	2.0750	2.0855
C2	1.3202		2.3297	2.7226	1.0789	1.0762
F3	1.3343	2.3297		2.5509	2.5777	3.3021
Cl4	1.7348	2.7226	2.5509		3.7010	2.9171
H5	2.0750	1.0789	2.5777	3.7010		1.8658
H6	2.0855	1.0762	3.3021	2.9171	1.8658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.410	C1	C2	H6	120.649
C2	C1	F3	122.721	C2	C1	Cl4	125.503
F3	C1	Cl4	111.776	H5	C2	H6	119.941

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

using model chemistry: B2PLYP/TZVP

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	0.181
2	C	-0.268
3	F	-0.155
4	Cl	-0.046
5	H	0.142
6	H	0.146

	x	y	z	Total
	-1.273	0.667	0.000	1.437
CHELPG
AIM
ESP

	x	y	z
x	5.049	-0.868	0.000
y	-0.868	6.852	0.000
z	0.000	0.000	3.144

<r²>	96.161
(<r²>)^1/2	9.806

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

using model chemistry: B2PLYP/TZVP

States and conformations

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