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	hartrees
Energy at 0K	-835.470642
Energy at 298.15K
HF Energy	-835.470642
Nuclear repulsion energy	295.134949

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'	1879	1801	63.86	21.94	0.31	0.47
2	A'	1376	1319	196.09	0.11	0.28	0.44
3	A'	1249	1197	235.37	0.39	0.38	0.56
4	A'	1084	1039	263.67	4.06	0.18	0.31
5	A'	713	684	4.58	7.52	0.12	0.22
6	A'	526	504	1.07	1.74	0.72	0.84
7	A'	470	450	0.38	2.51	0.43	0.60
8	A'	344	330	1.43	2.70	0.63	0.78
9	A'	188	180	3.15	0.67	0.67	0.80
10	A"	587	563	3.50	12.53	0.75	0.86
11	A"	388	372	0.90	0.58	0.75	0.86
12	A"	174	166	0.07	0.11	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.686	-0.661
C2	0.000	0.472
F3	-1.995	-0.706
F4	-0.137	-1.848
F5	-0.626	1.640
Cl6	1.702	0.551

	C1	C2	F3	F4	F5	Cl6
C1		1.3246	1.3093	1.3080	2.3016	2.6780
C2	1.3246		2.3166	2.3243	1.3249	1.7038
F3	1.3093	2.3166		2.1805	2.7162	3.9045
F4	1.3080	2.3243	2.1805		3.5221	3.0230
F5	2.3016	1.3249	2.7162	3.5221		2.5698
Cl6	2.6780	1.7038	3.9045	3.0230	2.5698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.621	C1	C2	Cl6	123.848
C2	C1	F3	123.172	C2	C1	F4	123.991
F3	C1	F4	112.837	F5	C2	Cl6	115.531

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

using model chemistry: PBE1PBE/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	0.463
2	C	0.012
3	F	-0.158
4	F	-0.156
5	F	-0.170
6	Cl	0.008

	x	y	z	Total
	0.195	-0.330	0.000	0.384
CHELPG
AIM
ESP

	x	y	z
x	6.406	0.977	0.000
y	0.977	4.930	0.000
z	0.000	0.000	2.452

<r²>	184.139
(<r²>)^1/2	13.570

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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