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	hartrees
Energy at 0K	-835.877886
Energy at 298.15K
HF Energy	-835.877886
Nuclear repulsion energy	294.714320

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'	1885	1885	67.06	24.56	0.31	0.47
2	A'	1367	1367	193.96	0.10	0.30	0.46
3	A'	1240	1240	244.45	0.32	0.42	0.59
4	A'	1078	1078	269.06	3.82	0.18	0.31
5	A'	710	710	4.88	7.52	0.13	0.22
6	A'	526	526	1.03	1.74	0.72	0.84
7	A'	467	467	0.31	2.63	0.41	0.59
8	A'	346	346	1.55	2.70	0.63	0.78
9	A'	191	191	3.22	0.69	0.67	0.80
10	A"	597	597	3.93	12.98	0.75	0.86
11	A"	389	389	1.24	0.57	0.75	0.86
12	A"	173	173	0.07	0.11	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.691	-0.658
C2	0.000	0.470
F3	-2.000	-0.698
F4	-0.148	-1.849
F5	-0.621	1.643
Cl6	1.710	0.545

	C1	C2	F3	F4	F5	Cl6
C1		1.3230	1.3100	1.3090	2.3015	2.6852
C2	1.3230		2.3165	2.3243	1.3262	1.7114
F3	1.3100	2.3165		2.1805	2.7170	3.9128
F4	1.3090	2.3243	2.1805		3.5234	3.0306
F5	2.3015	1.3262	2.7170	3.5234		2.5758
Cl6	2.6852	1.7114	3.9128	3.0306	2.5758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.626	C1	C2	Cl6	123.975
C2	C1	F3	123.233	C2	C1	F4	124.038
F3	C1	F4	112.729	F5	C2	Cl6	115.399

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

using model chemistry: wB97X-D/6-311G*

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	0.464
2	C	0.016
3	F	-0.161
4	F	-0.158
5	F	-0.172
6	Cl	0.011

	x	y	z	Total
	0.201	-0.340	0.000	0.395
CHELPG
AIM
ESP

	x	y	z
x	6.399	0.983	0.000
y	0.983	4.920	0.000
z	0.000	0.000	2.442

<r²>	184.703
(<r²>)^1/2	13.591

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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