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	hartrees
Energy at 0K	-833.587404
Energy at 298.15K
HF Energy	-833.587404
Nuclear repulsion energy	297.835490

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'	2051	1864	94.93	39.86	0.32	0.48
2	A'	1493	1356	202.02	0.07	0.27	0.43
3	A'	1344	1221	283.06	0.12	0.25	0.40
4	A'	1165	1058	322.66	2.81	0.21	0.35
5	A'	764	694	4.86	7.68	0.12	0.21
6	A'	570	518	1.36	1.90	0.74	0.85
7	A'	502	456	0.64	3.12	0.38	0.55
8	A'	370	337	2.21	2.33	0.63	0.77
9	A'	206	187	4.14	0.66	0.66	0.79
10	A"	700	636	7.11	17.20	0.75	0.86
11	A"	435	395	3.94	0.55	0.75	0.86
12	A"	194	176	0.06	0.11	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.691	-0.645
C2	0.000	0.460
F3	-1.983	-0.679
F4	-0.172	-1.826
F5	-0.602	1.625
Cl6	1.704	0.531

	C1	C2	F3	F4	F5	Cl6
C1		1.3036	1.2919	1.2910	2.2713	2.6680
C2	1.3036		2.2868	2.2933	1.3109	1.7050
F3	1.2919	2.2868		2.1443	2.6856	3.8798
F4	1.2910	2.2933	2.1443		3.4780	3.0123
F5	2.2713	1.3109	2.6856	3.4780		2.5521
Cl6	2.6680	1.7050	3.8798	3.0123	2.5521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.617	C1	C2	Cl6	124.404
C2	C1	F3	123.541	C2	C1	F4	124.225
F3	C1	F4	112.234	F5	C2	Cl6	114.979

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

using model chemistry: HF/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	0.607
2	C	0.115
3	F	-0.228
4	F	-0.228
5	F	-0.247
6	Cl	-0.019

	x	y	z	Total
	0.264	-0.390	0.000	0.471
CHELPG
AIM
ESP

	x	y	z
x	5.885	1.010	0.000
y	1.010	4.551	0.000
z	0.000	0.000	2.349

<r²>	182.006
(<r²>)^1/2	13.491

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

using model chemistry: HF/6-311G**

States and conformations

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