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	hartrees
Energy at 0K	-637.036048
Energy at 298.15K	-637.038248
HF Energy	-637.036048
Nuclear repulsion energy	148.648283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3206	0.34
2	A'	3131	3099	4.38
3	A'	1678	1661	142.76
4	A'	1358	1344	4.40
5	A'	1170	1158	180.51
6	A'	937	927	24.72
7	A'	672	665	47.93
8	A'	421	416	0.70
9	A'	359	356	0.14
10	A"	794	785	54.06
11	A"	697	690	0.14
12	A"	527	522	0.27

Atom	x (Å)	y (Å)
C1	0.000	0.462
C2	-1.036	1.300
F3	1.268	0.855
Cl4	-0.134	-1.269
H5	-0.855	2.375
H6	-2.055	0.923

	C1	C2	F3	Cl4	H5	H6
C1		1.3325	1.3271	1.7360	2.0954	2.1061
C2	1.3325		2.3459	2.7227	1.0899	1.0870
F3	1.3271	2.3459		2.5447	2.6105	3.3233
Cl4	1.7360	2.7227	2.5447		3.7144	2.9143
H5	2.0954	1.0899	2.6105	3.7144		1.8841
H6	2.1061	1.0870	3.3233	2.9143	1.8841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.427	C1	C2	H6	120.694
C2	C1	F3	123.784	C2	C1	Cl4	124.552
F3	C1	Cl4	111.665	H5	C2	H6	119.879

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.265
2	C	-0.422
3	F	-0.035
4	Cl	-0.114
5	H	0.148
6	H	0.157

	x	y	z	Total
	-0.788	0.784	0.000	1.111
CHELPG
AIM
ESP

	x	y	z
x	5.259	-0.839	0.000
y	-0.839	7.091	0.000
z	0.000	0.000	2.985

<r²>	95.742
(<r²>)^1/2	9.785

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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