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	hartrees
Energy at 0K	-835.704695
Energy at 298.15K
HF Energy	-835.704695
Nuclear repulsion energy	294.578052

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'	1917	1816	58.65	19.73	0.37	0.54
2	A'	1436	1360	162.42	0.05	0.34	0.51
3	A'	1300	1231	211.91	0.24	0.28	0.43
4	A'	1107	1049	235.41	2.95	0.18	0.30
5	A'	718	680	5.41	7.63	0.12	0.21
6	A'	522	494	1.06	1.63	0.75	0.86
7	A'	467	442	0.59	2.56	0.37	0.54
8	A'	339	321	1.35	2.47	0.63	0.77
9	A'	183	173	3.00	0.59	0.64	0.78
10	A"	569	539	3.39	11.41	0.75	0.86
11	A"	383	362	2.00	0.31	0.75	0.86
12	A"	174	165	0.03	0.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.688	-0.660
C2	0.000	0.472
F3	-2.000	-0.701
F4	-0.134	-1.849
F5	-0.632	1.640
Cl6	1.707	0.548

	C1	C2	F3	F4	F5	Cl6
C1		1.3244	1.3131	1.3118	2.3007	2.6820
C2	1.3244		2.3187	2.3254	1.3278	1.7087
F3	1.3131	2.3187		2.1907	2.7118	3.9119
F4	1.3118	2.3254	2.1907		3.5247	3.0231
F5	2.3007	1.3278	2.7118	3.5247		2.5809
Cl6	2.6820	1.7087	3.9119	3.0231	2.5809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.326	C1	C2	Cl6	123.825
C2	C1	F3	123.070	C2	C1	F4	123.789
F3	C1	F4	113.140	F5	C2	Cl6	115.849

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

using model chemistry: M06-2X/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	0.557
2	C	0.093
3	F	-0.236
4	F	-0.232
5	F	-0.248
6	Cl	0.065

	x	y	z	Total
	0.145	-0.302	0.000	0.335
CHELPG
AIM
ESP

	x	y	z
x	6.157	0.997	0.000
y	0.997	4.962	0.000
z	0.000	0.000	2.515

<r²>	184.224
(<r²>)^1/2	13.573

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

using model chemistry: M06-2X/6-31G*

States and conformations

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