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	hartrees
Energy at 0K	-825.564195
Energy at 298.15K
HF Energy	-825.564195
Nuclear repulsion energy	282.309964

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'	1803	1609	16.22	5.32	0.55	0.71
2	A'	1440	1285	29.03	0.56	0.68	0.81
3	A'	1334	1191	108.24	0.78	0.69	0.82
4	A'	1054	941	105.67	1.07	0.41	0.59
5	A'	681	608	11.82	8.19	0.12	0.21
6	A'	474	423	1.47	2.24	0.72	0.84
7	A'	432	386	1.29	3.21	0.36	0.53
8	A'	304	271	0.42	3.06	0.64	0.78
9	A'	157	140	1.56	0.48	0.66	0.80
10	A"	455	406	2.47	6.02	0.75	0.86
11	A"	329	294	0.09	1.92	0.75	0.86
12	A"	152	136	0.19	0.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.781	-0.603
C2	0.000	0.527
F3	-2.154	-0.555
F4	-0.278	-1.875
F5	-0.480	1.802
Cl6	1.818	0.359

	C1	C2	F3	F4	F5	Cl6
C1		1.3738	1.3737	1.3685	2.4238	2.7712
C2	1.3738		2.4109	2.4188	1.3623	1.8255
F3	1.3737	2.4109		2.2938	2.8916	4.0757
F4	1.3685	2.4188	2.2938		3.6832	3.0636
F5	2.4238	1.3623	2.8916	3.6832		2.7132
Cl6	2.7712	1.8255	4.0757	3.0636	2.7132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	124.717	C1	C2	Cl6	119.368
C2	C1	F3	122.680	C2	C1	F4	123.777
F3	C1	F4	113.543	F5	C2	Cl6	115.915

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

using model chemistry: B3LYP/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	0.165
2	C	0.065
3	F	-0.044
4	F	-0.039
5	F	-0.024
6	Cl	-0.124

	x	y	z	Total
	-1.646	-0.205	0.000	1.658
CHELPG
AIM
ESP

	x	y	z
x	4.677	0.615	0.000
y	0.615	3.423	0.000
z	0.000	0.000	0.496

<r²>	195.603
(<r²>)^1/2	13.986

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

using model chemistry: B3LYP/STO-3G

States and conformations

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