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	hartrees
Energy at 0K	-630.022311
Energy at 298.15K	-630.024364
HF Energy	-630.022311
Nuclear repulsion energy	144.950638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3623	3184	10.89
2	A'	3458	3039	63.46
3	A'	1860	1635	77.05
4	A'	1535	1349	5.41
5	A'	1340	1178	119.87
6	A'	1031	906	6.71
7	A'	718	631	35.08
8	A'	416	366	0.79
9	A'	355	312	1.58
10	A"	899	790	40.89
11	A"	744	654	0.04
12	A"	522	459	1.54

Atom	x (Å)	y (Å)
C1	0.000	0.501
C2	-1.103	1.260
F3	1.270	0.954
Cl4	-0.100	-1.312
H5	-1.018	2.350
H6	-2.096	0.810

	C1	C2	F3	Cl4	H5	H6
C1		1.3396	1.3487	1.8159	2.1109	2.1191
C2	1.3396		2.3934	2.7616	1.0926	1.0901
F3	1.3487	2.3934		2.6483	2.6807	3.3697
Cl4	1.8159	2.7616	2.6483		3.7756	2.9142
H5	2.1109	1.0926	2.6807	3.7756		1.8792
H6	2.1191	1.0901	3.3697	2.9142	1.8792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.086	C1	C2	H6	121.073
C2	C1	F3	125.814	C2	C1	Cl4	121.396
F3	C1	Cl4	112.790	H5	C2	H6	118.841

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

using model chemistry: mPW1PW91/STO-3G

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	0.134
2	C	-0.192
3	F	-0.027
4	Cl	-0.130
5	H	0.105
6	H	0.111

	x	y	z	Total
	-0.307	1.760	0.000	1.787
CHELPG
AIM
ESP

	x	y	z
x	2.798	-0.540	0.000
y	-0.540	3.987	0.000
z	0.000	0.000	0.451

<r²>	98.793
(<r²>)^1/2	9.939

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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