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	hartrees
Energy at 0K	-835.401079
Energy at 298.15K
HF Energy	-835.107415
Nuclear repulsion energy	293.071141

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'	1867	1867	50.44	14.03	0.40	0.57
2	A'	1380	1380	155.36	0.09	0.44	0.61
3	A'	1250	1250	201.74	0.29	0.22	0.36
4	A'	1077	1077	228.84	3.19	0.17	0.28
5	A'	699	699	4.42	8.25	0.12	0.22
6	A'	516	516	1.00	1.65	0.75	0.85
7	A'	460	460	0.51	2.60	0.37	0.54
8	A'	338	338	1.29	2.63	0.63	0.77
9	A'	187	187	3.05	0.57	0.64	0.78
10	A"	531	531	2.93	11.24	0.75	0.86
11	A"	375	375	1.67	0.32	0.75	0.86
12	A"	172	172	0.03	0.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.684	-0.668
C2	0.000	0.472
F3	-2.005	-0.717
F4	-0.122	-1.863
F5	-0.647	1.642
Cl6	1.710	0.566

	C1	C2	F3	F4	F5	Cl6
C1		1.3298	1.3218	1.3205	2.3109	2.6939
C2	1.3298		2.3312	2.3385	1.3373	1.7129
F3	1.3218	2.3312		2.2042	2.7223	3.9307
F4	1.3205	2.3385	2.2042		3.5447	3.0430
F5	2.3109	1.3373	2.7223	3.5447		2.5916
Cl6	2.6939	1.7129	3.9307	3.0430	2.5916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.094	C1	C2	Cl6	124.106
C2	C1	F3	123.084	C2	C1	F4	123.856
F3	C1	F4	113.060	F5	C2	Cl6	115.801

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

using model chemistry: B2PLYP/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	0.556
2	C	0.110
3	F	-0.237
4	F	-0.233
5	F	-0.252
6	Cl	0.056

	x	y	z	Total
	0.170	-0.295	0.000	0.341
CHELPG
AIM
ESP

	x	y	z
x	6.228	0.988	0.000
y	0.988	5.056	-0.000
z	0.000	-0.000	2.492

<r²>	185.921
(<r²>)^1/2	13.635

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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