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	hartrees
Energy at 0K	-97.037815
Energy at 298.15K
HF Energy	-97.037815
Nuclear repulsion energy	125.234124

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'	1994	1820	55.78	28.74	0.39	0.56
2	A'	1389	1267	144.23	1.96	0.60	0.75
3	A'	1265	1154	206.03	1.27	0.75	0.85
4	A'	1092	996	249.31	1.48	0.22	0.36
5	A'	699	638	3.14	16.71	0.11	0.20
6	A'	528	481	2.24	4.37	0.72	0.84
7	A'	464	424	4.31	5.73	0.32	0.49
8	A'	343	313	2.55	3.52	0.65	0.79
9	A'	194	177	5.79	0.83	0.68	0.81
10	A"	636	580	5.13	21.14	0.75	0.86
11	A"	399	364	9.13	0.59	0.75	0.86
12	A"	183	167	0.04	0.14	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.703	-0.655
C2	0.000	0.460
F3	-2.046	-0.698
F4	-0.166	-1.885
F5	-0.631	1.665
Cl6	1.753	0.555

	C1	C2	F3	F4	F5	Cl6
C1		1.3179	1.3431	1.3427	2.3210	2.7381
C2	1.3179		2.3506	2.3510	1.3605	1.7558
F3	1.3431	2.3506		2.2233	2.7541	4.0001
F4	1.3427	2.3510	2.2233		3.5808	3.1043
F5	2.3210	1.3605	2.7541	3.5808		2.6303
Cl6	2.7381	1.7558	4.0001	3.1043	2.6303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.111	C1	C2	Cl6	125.347
C2	C1	F3	124.092	C2	C1	F4	124.159
F3	C1	F4	111.749	F5	C2	Cl6	114.542

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

using model chemistry: HF/CEP-121G

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	0.534
2	C	0.015
3	F	-0.217
4	F	-0.220
5	F	-0.232
6	Cl	0.120

	x	y	z	Total
	0.799	-0.163	0.000	0.816
CHELPG
AIM
ESP

	x	y	z
x	6.163	1.018	0.000
y	1.018	4.771	0.000
z	0.000	0.000	2.215

<r²>	133.358
(<r²>)^1/2	11.548

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

using model chemistry: HF/CEP-121G

States and conformations

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