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	hartrees
Energy at 0K	-835.703341
Energy at 298.15K
HF Energy	-835.703341
Nuclear repulsion energy	283.213671

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'	1759	1746	27.00	7.06	0.39	0.56
2	A'	1227	1217	123.17	0.78	0.53	0.69
3	A'	1125	1117	147.48	0.15	0.68	0.81
4	A'	954	947	184.78	2.43	0.12	0.21
5	A'	621	616	8.01	11.40	0.14	0.25
6	A'	469	465	1.58	2.30	0.75	0.86
7	A'	406	403	0.74	4.66	0.36	0.53
8	A'	307	305	1.25	4.03	0.67	0.80
9	A'	178	176	3.78	0.84	0.67	0.80
10	A"	489	485	2.10	12.63	0.75	0.86
11	A"	341	338	2.11	0.32	0.75	0.86
12	A"	152	151	0.02	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.733	-0.643
C2	0.000	0.480
F3	-2.110	-0.652
F4	-0.194	-1.908
F5	-0.604	1.726
Cl6	1.798	0.499

	C1	C2	F3	F4	F5	Cl6
C1		1.3410	1.3767	1.3749	2.3729	2.7765
C2	1.3410		2.3939	2.3959	1.3849	1.7981
F3	1.3767	2.3939		2.2905	2.8147	4.0733
F4	1.3749	2.3959	2.2905		3.6574	3.1245
F5	2.3729	1.3849	2.8147	3.6574		2.6973
Cl6	2.7765	1.7981	4.0733	3.1245	2.6973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.027	C1	C2	Cl6	123.728
C2	C1	F3	123.488	C2	C1	F4	123.814
F3	C1	F4	112.698	F5	C2	Cl6	115.245

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

using model chemistry: BLYP/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	0.493
2	C	0.018
3	F	-0.221
4	F	-0.221
5	F	-0.225
6	Cl	0.155

	x	y	z	Total
	0.282	-0.127	0.000	0.309
CHELPG
AIM
ESP

	x	y	z
x	6.845	0.844	0.000
y	0.844	5.000	0.000
z	0.000	0.000	1.871

<r²>	197.723
(<r²>)^1/2	14.061

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

using model chemistry: BLYP/6-31G

States and conformations

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