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	hartrees
Energy at 0K	-835.798557
Energy at 298.15K
HF Energy	-835.798557
Nuclear repulsion energy	294.086901

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'	1904	1904	63.41	27.03	0.29	0.45
2	A'	1383	1383	177.06	0.32	0.51	0.68
3	A'	1260	1260	202.89	0.29	0.51	0.67
4	A'	1092	1092	240.58	2.56	0.35	0.52
5	A'	712	712	3.59	9.68	0.05	0.10
6	A'	518	518	1.16	1.10	0.74	0.85
7	A'	467	467	1.07	2.69	0.24	0.39
8	A'	338	338	1.37	2.00	0.52	0.68
9	A'	184	184	2.57	0.45	0.56	0.72
10	A"	592	592	2.56	7.11	0.75	0.86
11	A"	379	379	1.44	0.11	0.75	0.86
12	A"	172	172	0.05	0.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.683	-0.665
C2	0.000	0.472
F3	-1.998	-0.718
F4	-0.130	-1.857
F5	-0.638	1.640
Cl6	1.706	0.563

	C1	C2	F3	F4	F5	Cl6
C1		1.3265	1.3160	1.3145	2.3052	2.6857
C2	1.3265		2.3258	2.3332	1.3307	1.7080
F3	1.3160	2.3258		2.1879	2.7221	3.9189
F4	1.3145	2.3332	2.1879		3.5340	3.0377
F5	2.3052	1.3307	2.7221	3.5340		2.5793
Cl6	2.6857	1.7080	3.9189	3.0377	2.5793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.348	C1	C2	Cl6	124.040
C2	C1	F3	123.320	C2	C1	F4	124.127
F3	C1	F4	112.553	F5	C2	Cl6	115.612

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

using model chemistry: M06-2X/aug-cc-pVDZ

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	1.269
2	C	-0.102
3	F	-0.393
4	F	-0.374
5	F	-0.453
6	Cl	0.053

	x	y	z	Total
	0.424	-0.178	0.000	0.460
CHELPG
AIM
ESP

	x	y	z
x	7.420	0.991	0.000
y	0.991	6.378	0.000
z	0.000	0.000	4.182

<r²>	185.459
(<r²>)^1/2	13.618

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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