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	hartrees
Energy at 0K	-637.359111
Energy at 298.15K	-637.361300
HF Energy	-637.359111
Nuclear repulsion energy	145.099741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3201	0.08
2	A'	3220	3098	4.03
3	A'	1730	1665	125.75
4	A'	1459	1404	0.53
5	A'	1187	1142	178.45
6	A'	946	910	43.19
7	A'	637	613	56.65
8	A'	404	388	0.76
9	A'	350	337	0.53
10	A"	923	888	83.90
11	A"	721	693	0.95
12	A"	506	487	0.23

Atom	x (Å)	y (Å)
C1	0.000	0.485
C2	-0.997	1.360
F3	1.328	0.848
Cl4	-0.186	-1.304
H5	-0.780	2.421
H6	-2.026	1.033

	C1	C2	F3	Cl4	H5	H6
C1		1.3268	1.3772	1.7984	2.0871	2.0991
C2	1.3268		2.3815	2.7847	1.0825	1.0797
F3	1.3772	2.3815		2.6314	2.6308	3.3599
Cl4	1.7984	2.7847	2.6314		3.7716	2.9744
H5	2.0871	1.0825	2.6308	3.7716		1.8647
H6	2.0991	1.0797	3.3599	2.9744	1.8647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.715	C1	C2	H6	121.102
C2	C1	F3	123.447	C2	C1	Cl4	125.325
F3	C1	Cl4	111.228	H5	C2	H6	119.183

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

using model chemistry: TPSSh/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	0.104
2	C	-0.336
3	F	-0.276
4	Cl	0.114
5	H	0.199
6	H	0.194

	x	y	z	Total
	-1.543	1.213	0.000	1.963
CHELPG
AIM
ESP

	x	y	z
x	4.457	-0.724	0.000
y	-0.724	6.638	0.000
z	0.000	0.000	1.689

<r²>	99.995
(<r²>)^1/2	10.000

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

using model chemistry: TPSSh/6-31G

States and conformations

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