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	hartrees
Energy at 0K	-833.084798
Energy at 298.15K
HF Energy	-833.084798
Nuclear repulsion energy	295.702917

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'	1830	1812	57.77	15.26	0.32	0.48
2	A'	1356	1343	204.21	0.18	0.26	0.42
3	A'	1236	1224	214.85	0.44	0.44	0.61
4	A'	1067	1057	241.72	4.85	0.18	0.31
5	A'	703	696	5.11	7.95	0.13	0.23
6	A'	512	507	1.03	1.68	0.69	0.82
7	A'	460	456	0.36	2.49	0.45	0.62
8	A'	334	330	1.19	2.88	0.63	0.78
9	A'	178	177	2.91	0.69	0.68	0.81
10	A"	561	556	2.59	11.44	0.75	0.86
11	A"	369	365	0.20	0.68	0.75	0.86
12	A"	168	166	0.09	0.13	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.684	-0.661
C2	0.000	0.477
F3	-1.991	-0.706
F4	-0.129	-1.843
F5	-0.627	1.640
Cl6	1.696	0.546

	C1	C2	F3	F4	F5	Cl6
C1		1.3281	1.3073	1.3060	2.3014	2.6684
C2	1.3281		2.3161	2.3242	1.3206	1.6969
F3	1.3073	2.3161		2.1812	2.7137	3.8932
F4	1.3060	2.3242	2.1812		3.5183	3.0065
F5	2.3014	1.3206	2.7137	3.5183		2.5670
Cl6	2.6684	1.6969	3.8932	3.0065	2.5670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.655	C1	C2	Cl6	123.330
C2	C1	F3	122.996	C2	C1	F4	123.846
F3	C1	F4	113.158	F5	C2	Cl6	116.015

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

using model chemistry: SVWN/6-311G*

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	0.391
2	C	-0.063
3	F	-0.121
4	F	-0.117
5	F	-0.129
6	Cl	0.040

	x	y	z	Total
	0.167	-0.310	0.000	0.353
CHELPG
AIM
ESP

	x	y	z
x	6.683	0.966	0.000
y	0.966	5.077	0.000
z	0.000	0.000	2.505

<r²>	183.399
(<r²>)^1/2	13.542

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

using model chemistry: SVWN/6-311G*

States and conformations

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