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	hartrees
Energy at 0K	-835.673497
Energy at 298.15K
HF Energy	-835.673497
Nuclear repulsion energy	293.750342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1870	1789	53.09
2	A'	1389	1329	162.92
3	A'	1258	1203	211.95
4	A'	1080	1033	234.13
5	A'	704	674	5.23
6	A'	517	495	0.95
7	A'	461	441	0.38
8	A'	339	324	1.19
9	A'	186	178	2.79
10	A"	544	520	2.78
11	A"	379	363	1.18
12	A"	170	163	0.03

Atom	x (Å)	y (Å)
C1	-0.687	-0.666
C2	0.000	0.473
F3	-2.003	-0.711
F4	-0.131	-1.858
F5	-0.636	1.642
Cl6	1.709	0.559

	C1	C2	F3	F4	F5	Cl6
C1		1.3301	1.3170	1.3155	2.3089	2.6904
C2	1.3301		2.3267	2.3349	1.3311	1.7109
F3	1.3170	2.3267		2.1959	2.7213	3.9228
F4	1.3155	2.3349	2.1959		3.5368	3.0373
F5	2.3089	1.3311	2.7213	3.5368		2.5830
Cl6	2.6904	1.7109	3.9228	3.0373	2.5830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.367	C1	C2	Cl6	123.959
C2	C1	F3	123.034	C2	C1	F4	123.906
F3	C1	F4	113.060	F5	C2	Cl6	115.674

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

using model chemistry: B3PW91/6-31G*

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	0.541
2	C	0.077
3	F	-0.226
4	F	-0.222
5	F	-0.236
6	Cl	0.065

	x	y	z	Total
	0.089	-0.308	0.000	0.321
CHELPG
AIM
ESP

	x	y	z
x	6.301	1.014	0.000
y	1.014	5.090	0.000
z	0.000	0.000	2.525

<r²>	185.033
(<r²>)^1/2	13.603

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

using model chemistry: B3PW91/6-31G*

States and conformations

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