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	hartrees
Energy at 0K	-825.632495
Energy at 298.15K
HF Energy	-825.632495
Nuclear repulsion energy	285.508942

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'	1903	1903	18.66	8.29	0.47	0.64
2	A'	1514	1514	27.02	0.26	0.61	0.76
3	A'	1387	1387	108.11	0.97	0.60	0.75
4	A'	1107	1107	105.58	0.88	0.55	0.71
5	A'	712	712	10.20	7.72	0.12	0.22
6	A'	489	489	1.52	2.63	0.70	0.82
7	A'	449	449	1.62	2.39	0.33	0.49
8	A'	308	308	0.52	2.86	0.64	0.78
9	A'	156	156	1.83	0.41	0.68	0.81
10	A"	522	522	3.62	7.49	0.75	0.86
11	A"	366	366	1.51	1.06	0.75	0.86
12	A"	162	162	0.24	0.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.770	-0.594
C2	0.000	0.523
F3	-2.131	-0.557
F4	-0.262	-1.853
F5	-0.474	1.791
Cl6	1.789	0.353

	C1	C2	F3	F4	F5	Cl6
C1		1.3567	1.3614	1.3573	2.4035	2.7287
C2	1.3567		2.3891	2.3903	1.3536	1.7975
F3	1.3614	2.3891		2.2737	2.8744	4.0244
F4	1.3573	2.3903	2.2737		3.6501	3.0119
F5	2.4035	1.3536	2.8744	3.6501		2.6816
Cl6	2.7287	1.7975	4.0244	3.0119	2.6816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	124.944	C1	C2	Cl6	119.128
C2	C1	F3	123.039	C2	C1	F4	123.457
F3	C1	F4	113.504	F5	C2	Cl6	115.927

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

using model chemistry: M06-2X/STO-3G

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	0.194
2	C	0.079
3	F	-0.059
4	F	-0.055
5	F	-0.040
6	Cl	-0.119

	x	y	z	Total
	-1.507	-0.196	0.000	1.520
CHELPG
AIM
ESP

	x	y	z
x	4.392	0.620	0.000
y	0.620	3.239	0.000
z	0.000	0.000	0.454

<r²>	191.639
(<r²>)^1/2	13.843

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

using model chemistry: M06-2X/STO-3G

States and conformations

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