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	hartrees
Energy at 0K	-835.750857
Energy at 298.15K
HF Energy	-835.750857
Nuclear repulsion energy	286.411943

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'	1848	1778	32.12	10.17	0.36	0.53
2	A'	1299	1250	123.29	0.58	0.53	0.69
3	A'	1185	1140	157.31	0.14	0.69	0.82
4	A'	1009	970	192.05	2.06	0.12	0.22
5	A'	652	627	7.01	10.75	0.14	0.25
6	A'	490	471	1.76	2.42	0.75	0.86
7	A'	428	411	0.89	4.14	0.36	0.53
8	A'	319	307	1.46	3.70	0.67	0.80
9	A'	183	176	4.32	0.79	0.67	0.80
10	A"	546	526	3.07	13.51	0.75	0.86
11	A"	362	348	4.08	0.34	0.75	0.86
12	A"	162	156	0.03	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.720	-0.644
C2	0.000	0.472
F3	-2.080	-0.661
F4	-0.181	-1.891
F5	-0.611	1.699
Cl6	1.775	0.512

	C1	C2	F3	F4	F5	Cl6
C1		1.3277	1.3601	1.3589	2.3452	2.7492
C2	1.3277		2.3686	2.3698	1.3709	1.7750
F3	1.3601	2.3686		2.2627	2.7799	4.0291
F4	1.3589	2.3698	2.2627		3.6157	3.0979
F5	2.3452	1.3709	2.7799	3.6157		2.6647
Cl6	2.7492	1.7750	4.0291	3.0979	2.6647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.682	C1	C2	Cl6	124.131
C2	C1	F3	123.577	C2	C1	F4	123.777
F3	C1	F4	112.645	F5	C2	Cl6	115.187

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

using model chemistry: B3LYP/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	0.563
2	C	0.027
3	F	-0.254
4	F	-0.255
5	F	-0.259
6	Cl	0.178

	x	y	z	Total
	0.427	-0.145	0.000	0.451
CHELPG
AIM
ESP

	x	y	z
x	6.443	0.877	0.000
y	0.877	4.771	0.000
z	0.000	0.000	1.831

<r²>	194.127
(<r²>)^1/2	13.933

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

using model chemistry: B3LYP/6-31G

States and conformations

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