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	hartrees
Energy at 0K	-637.529238
Energy at 298.15K	-637.531513
HF Energy	-637.529238
Nuclear repulsion energy	149.140674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3178	0.12
2	A'	3178	3077	2.95
3	A'	1706	1652	159.27
4	A'	1411	1367	2.63
5	A'	1188	1150	186.70
6	A'	956	925	46.36
7	A'	688	666	49.62
8	A'	427	413	0.89
9	A'	364	352	0.06
10	A"	854	827	58.34
11	A"	723	700	0.15
12	A"	535	518	1.15

Atom	x (Å)	y (Å)
C1	0.000	0.456
C2	-1.002	1.318
F3	1.280	0.831
Cl4	-0.158	-1.263
H5	-0.792	2.378
H6	-2.022	0.970

	C1	C2	F3	Cl4	H5	H6
C1		1.3215	1.3337	1.7260	2.0790	2.0865
C2	1.3215		2.3327	2.7149	1.0807	1.0779
F3	1.3337	2.3327		2.5405	2.5855	3.3047
Cl4	1.7260	2.7149	2.5405		3.6956	2.9087
H5	2.0790	1.0807	2.5855	3.6956		1.8693
H6	2.0865	1.0779	3.3047	2.9087	1.8693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.529	C1	C2	H6	120.485
C2	C1	F3	122.935	C2	C1	Cl4	125.444
F3	C1	Cl4	111.621	H5	C2	H6	119.987

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

using model chemistry: TPSSh/cc-pVTZ

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	0.208
2	C	-0.249
3	F	-0.132
4	Cl	-0.081
5	H	0.126
6	H	0.128

	x	y	z	Total
	-1.046	0.694	0.000	1.255
CHELPG
AIM
ESP

	x	y	z
x	5.359	-0.847	0.000
y	-0.847	7.280	0.000
z	0.000	0.000	3.283

<r²>	95.438
(<r²>)^1/2	9.769

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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