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	hartrees
Energy at 0K	-835.862581
Energy at 298.15K
HF Energy	-835.862581
Nuclear repulsion energy	292.777835

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'	1858	1785	51.57	16.43	0.38	0.55
2	A'	1369	1315	158.04	0.11	0.43	0.60
3	A'	1240	1191	210.16	0.21	0.24	0.38
4	A'	1064	1022	230.16	3.62	0.17	0.29
5	A'	695	668	5.56	8.28	0.12	0.21
6	A'	514	494	0.94	1.57	0.74	0.85
7	A'	455	437	0.34	2.78	0.36	0.53
8	A'	336	323	1.27	2.68	0.63	0.77
9	A'	187	180	2.93	0.62	0.64	0.78
10	A"	537	516	2.56	11.59	0.75	0.86
11	A"	374	359	1.43	0.32	0.75	0.86
12	A"	169	163	0.02	0.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.693	-0.663
C2	0.000	0.473
F3	-2.014	-0.701
F4	-0.141	-1.862
F5	-0.631	1.650
Cl6	1.720	0.551

	C1	C2	F3	F4	F5	Cl6
C1		1.3300	1.3215	1.3199	2.3131	2.7001
C2	1.3300		2.3307	2.3390	1.3354	1.7213
F3	1.3215	2.3307		2.2028	2.7269	3.9373
F4	1.3199	2.3390	2.2028		3.5456	3.0469
F5	2.3131	1.3354	2.7269	3.5456		2.5951
Cl6	2.7001	1.7213	3.9373	3.0469	2.5951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.405	C1	C2	Cl6	123.972
C2	C1	F3	123.047	C2	C1	F4	123.934
F3	C1	F4	113.019	F5	C2	Cl6	115.623

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

using model chemistry: B3LYP/6-31G**

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	0.528
2	C	0.105
3	F	-0.224
4	F	-0.221
5	F	-0.238
6	Cl	0.049

	x	y	z	Total
	0.093	-0.289	0.000	0.304
CHELPG
AIM
ESP

	x	y	z
x	6.348	1.009	0.000
y	1.009	5.093	0.000
z	0.000	0.000	2.512

<r²>	186.182
(<r²>)^1/2	13.645

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

using model chemistry: B3LYP/6-31G**

States and conformations

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