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	hartrees
Energy at 0K	-97.189854
Energy at 298.15K
HF Energy	-97.189854
Nuclear repulsion energy	127.659006

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'	2072	1861	89.15	45.47	0.35	0.52
2	A'	1507	1353	203.40	0.16	0.63	0.77
3	A'	1356	1218	285.80	0.38	0.18	0.30
4	A'	1167	1048	326.55	3.45	0.19	0.31
5	A'	760	682	5.08	9.23	0.12	0.22
6	A'	556	500	1.40	2.10	0.74	0.85
7	A'	496	446	0.89	3.63	0.39	0.56
8	A'	363	326	2.03	2.35	0.64	0.78
9	A'	199	179	3.80	0.77	0.63	0.77
10	A"	624	560	5.82	24.19	0.75	0.86
11	A"	415	372	2.30	0.80	0.75	0.86
12	A"	188	168	0.07	0.15	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.692	-0.668
C2	0.000	0.471
F3	-1.995	-0.721
F4	-0.150	-1.853
F5	-0.629	1.633
Cl6	1.712	0.568

	C1	C2	F3	F4	F5	Cl6
C1		1.3324	1.3037	1.3029	2.3020	2.7032
C2	1.3324		2.3232	2.3282	1.3216	1.7150
F3	1.3037	2.3232		2.1646	2.7213	3.9244
F4	1.3029	2.3282	2.1646		3.5186	3.0539
F5	2.3020	1.3216	2.7213	3.5186		2.5719
Cl6	2.7032	1.7150	3.9244	3.0539	2.5719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.309	C1	C2	Cl6	124.535
C2	C1	F3	123.593	C2	C1	F4	124.123
F3	C1	F4	112.284	F5	C2	Cl6	115.156

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

using model chemistry: HF/CEP-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	0.337
2	C	0.200
3	F	-0.157
4	F	-0.154
5	F	-0.176
6	Cl	-0.049

	x	y	z	Total
	0.354	-0.341	0.000	0.492
CHELPG
AIM
ESP

	x	y	z
x	6.030	1.098	0.000
y	1.098	4.858	0.000
z	0.000	0.000	2.537

<r²>	128.394
(<r²>)^1/2	11.331

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

using model chemistry: HF/CEP-31G*

States and conformations

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