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	hartrees
Energy at 0K	-97.199611
Energy at 298.15K
HF Energy	-97.199611
Nuclear repulsion energy	128.092749

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'	2024	1829	90.75	43.78	0.32	0.48
2	A'	1494	1349	202.20	0.13	0.38	0.56
3	A'	1347	1217	280.60	0.19	0.22	0.36
4	A'	1165	1052	314.07	2.95	0.22	0.35
5	A'	757	684	4.57	9.97	0.09	0.16
6	A'	560	506	1.51	1.99	0.74	0.85
7	A'	497	449	0.91	3.70	0.33	0.49
8	A'	364	329	2.22	2.24	0.61	0.75
9	A'	202	182	3.72	0.60	0.62	0.77
10	A"	654	591	4.21	17.55	0.75	0.86
11	A"	419	379	2.66	0.43	0.75	0.86
12	A"	190	171	0.04	0.09	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.692	-0.653
C2	0.000	0.463
F3	-1.995	-0.696
F4	-0.165	-1.844
F5	-0.615	1.632
Cl6	1.713	0.548

	C1	C2	F3	F4	F5	Cl6
C1		1.3130	1.3034	1.3025	2.2870	2.6883
C2	1.3130		2.3068	2.3129	1.3217	1.7152
F3	1.3034	2.3068		2.1602	2.7066	3.9109
F4	1.3025	2.3129	2.1602		3.5058	3.0415
F5	2.2870	1.3217	2.7066	3.5058		2.5683
Cl6	2.6883	1.7152	3.9109	3.0415	2.5683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.465	C1	C2	Cl6	124.655
C2	C1	F3	123.685	C2	C1	F4	124.333
F3	C1	F4	111.982	F5	C2	Cl6	114.879

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	0.546
2	C	0.249
3	F	-0.233
4	F	-0.231
5	F	-0.257
6	Cl	-0.074

	x	y	z	Total
	0.358	-0.321	0.000	0.481
CHELPG
AIM
ESP

	x	y	z
x	6.103	1.042	0.000
y	1.042	5.084	0.000
z	0.000	0.000	2.997

<r²>	127.548
(<r²>)^1/2	11.294

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-)