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	hartrees
Energy at 0K	-833.663104
Energy at 298.15K
HF Energy	-833.663104
Nuclear repulsion energy	298.352141

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'	2035	1845	97.01	43.62	0.29	0.45
2	A'	1496	1356	187.75	0.13	0.65	0.79
3	A'	1347	1221	262.20	0.32	0.28	0.44
4	A'	1169	1060	293.21	3.74	0.24	0.39
5	A'	766	694	4.50	7.71	0.07	0.14
6	A'	572	519	1.18	1.29	0.73	0.85
7	A'	503	456	0.59	3.10	0.29	0.45
8	A'	371	336	1.93	1.94	0.56	0.72
9	A'	207	188	3.18	0.51	0.56	0.72
10	A"	706	640	4.24	12.48	0.75	0.86
11	A"	435	394	2.16	0.24	0.75	0.86
12	A"	194	176	0.05	0.04	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.685	-0.648
C2	0.000	0.461
F3	-1.974	-0.691
F4	-0.163	-1.826
F5	-0.610	1.619
Cl6	1.697	0.542

	C1	C2	F3	F4	F5	Cl6
C1		1.3038	1.2899	1.2887	2.2680	2.6626
C2	1.3038		2.2857	2.2933	1.3086	1.6986
F3	1.2899	2.2857		2.1379	2.6819	3.8724
F4	1.2887	2.2933	2.1379		3.4739	3.0112
F5	2.2680	1.3086	2.6819	3.4739		2.5461
Cl6	2.6626	1.6986	3.8724	3.0112	2.5461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.491	C1	C2	Cl6	124.424
C2	C1	F3	123.584	C2	C1	F4	124.403
F3	C1	F4	112.013	F5	C2	Cl6	115.085

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

using model chemistry: HF/Def2TZVPP

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	0.483
2	C	0.193
3	F	-0.214
4	F	-0.215
5	F	-0.224
6	Cl	-0.023

	x	y	z	Total
	0.336	-0.293	0.000	0.446
CHELPG
AIM
ESP

	x	y	z
x	6.440	0.990	0.000
y	0.990	5.417	0.000
z	0.000	0.000	3.457

<r²>	181.200
(<r²>)^1/2	13.461

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

using model chemistry: HF/Def2TZVPP

States and conformations

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