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	hartrees
Energy at 0K	-635.398413
Energy at 298.15K	-635.400640
HF Energy	-635.398413
Nuclear repulsion energy	149.533282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3209	2.94
2	A'	3125	3091	10.78
3	A'	1720	1701	172.41
4	A'	1308	1293	17.54
5	A'	1200	1187	197.79
6	A'	926	916	23.08
7	A'	693	685	44.22
8	A'	428	423	0.96
9	A'	364	360	0.11
10	A"	784	775	60.65
11	A"	691	684	0.00
12	A"	537	531	1.44

Atom	x (Å)	y (Å)
C1	0.000	0.454
C2	-1.029	1.295
F3	1.260	0.847
Cl4	-0.134	-1.259
H5	-0.830	2.375
H6	-2.058	0.917

	C1	C2	F3	Cl4	H5	H6
C1		1.3285	1.3201	1.7185	2.0931	2.1089
C2	1.3285		2.3323	2.7061	1.0988	1.0961
F3	1.3201	2.3323		2.5261	2.5896	3.3185
Cl4	1.7185	2.7061	2.5261		3.7007	2.9041
H5	2.0931	1.0988	2.5896	3.7007		1.9064
H6	2.1089	1.0961	3.3185	2.9041	1.9064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	118.848	C1	C2	H6	120.567
C2	C1	F3	123.423	C2	C1	Cl4	124.777
F3	C1	Cl4	111.800	H5	C2	H6	120.585

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

using model chemistry: LSDA/cc-pVDZ

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	-0.012
2	C	-0.067
3	F	-0.067
4	Cl	-0.022
5	H	0.083
6	H	0.086

	x	y	z	Total
	-0.821	0.601	0.000	1.017
CHELPG
AIM
ESP

	x	y	z
x	4.791	-0.836	0.000
y	-0.836	6.744	0.000
z	0.000	0.000	2.293

<r²>	94.904
(<r²>)^1/2	9.742

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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