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	hartrees
Energy at 0K	-835.789870
Energy at 298.15K
HF Energy	-835.789870
Nuclear repulsion energy	293.997463

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'	1898	1808	61.62	21.71	0.34	0.50
2	A'	1384	1318	177.32	0.03	0.27	0.42
3	A'	1253	1194	242.34	0.31	0.33	0.50
4	A'	1079	1028	255.90	3.37	0.20	0.33
5	A'	709	676	4.69	7.69	0.11	0.21
6	A'	523	499	0.96	1.61	0.72	0.84
7	A'	465	443	0.27	2.79	0.37	0.54
8	A'	341	325	1.33	2.60	0.63	0.78
9	A'	188	179	2.95	0.63	0.65	0.79
10	A"	595	567	3.31	13.18	0.75	0.86
11	A"	394	375	1.21	0.40	0.75	0.86
12	A"	173	165	0.04	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.696	-0.654
C2	0.000	0.477
F3	-2.009	-0.694
F4	-0.155	-1.849
F5	-0.612	1.656
Cl6	1.715	0.532

	C1	C2	F3	F4	F5	Cl6
C1		1.3283	1.3135	1.3117	2.3118	2.6869
C2	1.3283		2.3253	2.3317	1.3282	1.7158
F3	1.3135	2.3253		2.1843	2.7337	3.9204
F4	1.3117	2.3317	2.1843		3.5350	3.0279
F5	2.3118	1.3282	2.7337	3.5350		2.5842
Cl6	2.6869	1.7158	3.9204	3.0279	2.5842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.970	C1	C2	Cl6	123.422
C2	C1	F3	123.323	C2	C1	F4	124.063
F3	C1	F4	112.615	F5	C2	Cl6	115.607

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

using model chemistry: wB97X-D/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	0.362
2	C	0.024
3	F	-0.123
4	F	-0.117
5	F	-0.132
6	Cl	-0.014

	x	y	z	Total
	0.157	-0.279	0.000	0.320
CHELPG
AIM
ESP

	x	y	z
x	6.193	0.951	0.000
y	0.951	4.875	0.000
z	0.000	0.000	2.363

<r²>	185.021
(<r²>)^1/2	13.602

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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