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	hartrees
Energy at 0K	-835.871982
Energy at 298.15K
HF Energy	-835.871982
Nuclear repulsion energy	293.093350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1769	1746	60.28	22.05	0.31	0.48
2	A'	1273	1257	190.86	0.51	0.51	0.68
3	A'	1161	1146	207.21	0.50	0.57	0.72
4	A'	1025	1011	235.38	4.97	0.35	0.52
5	A'	679	670	3.42	10.57	0.05	0.10
6	A'	508	501	0.90	1.03	0.65	0.79
7	A'	451	445	0.33	2.84	0.23	0.37
8	A'	339	334	1.19	2.30	0.49	0.66
9	A'	192	190	2.27	0.52	0.55	0.71
10	A"	530	523	1.59	6.84	0.75	0.86
11	A"	366	361	0.54	0.13	0.75	0.86
12	A"	163	161	0.06	0.01	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.678	-0.676
C2	0.000	0.475
F3	-1.998	-0.742
F4	-0.111	-1.868
F5	-0.653	1.643
Cl6	1.701	0.583

	C1	C2	F3	F4	F5	Cl6
C1		1.3356	1.3222	1.3202	2.3183	2.6911
C2	1.3356		2.3397	2.3458	1.3373	1.7045
F3	1.3222	2.3397		2.1979	2.7378	3.9293
F4	1.3202	2.3458	2.1979		3.5520	3.0476
F5	2.3183	1.3373	2.7378	3.5520		2.5814
Cl6	2.6911	1.7045	3.9293	3.0476	2.5814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.298	C1	C2	Cl6	124.100
C2	C1	F3	123.360	C2	C1	F4	124.075
F3	C1	F4	112.565	F5	C2	Cl6	115.602

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)

using model chemistry: B97D3/6-311+G(3df,2p)

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	1.141
2	C	0.034
3	F	-0.371
4	F	-0.357
5	F	-0.416
6	Cl	-0.032

	x	y	z	Total
	0.397	-0.183	0.000	0.437
CHELPG
AIM
ESP

	x	y	z
x	7.987	1.057	0.000
y	1.057	6.899	0.000
z	0.000	0.000	4.428

<r²>	186.345
(<r²>)^1/2	13.651

All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)