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	hartrees
Energy at 0K	-835.577613
Energy at 298.15K
HF Energy	-835.577613
Nuclear repulsion energy	295.414117

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'	1869	1796	65.12	22.92	0.32	0.48
2	A'	1371	1317	181.93	0.11	0.44	0.61
3	A'	1246	1198	216.14	0.37	0.26	0.42
4	A'	1085	1042	240.35	4.18	0.22	0.36
5	A'	713	686	3.91	7.74	0.09	0.17
6	A'	525	505	0.97	1.26	0.71	0.83
7	A'	469	451	0.40	2.53	0.33	0.50
8	A'	343	330	1.27	2.28	0.59	0.74
9	A'	190	182	2.48	0.54	0.60	0.75
10	A"	590	567	2.04	9.82	0.75	0.86
11	A"	388	373	0.68	0.30	0.75	0.86
12	A"	173	166	0.05	0.04	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.682	-0.661
C2	0.000	0.473
F3	-1.991	-0.713
F4	-0.132	-1.847
F5	-0.630	1.638
Cl6	1.698	0.555

	C1	C2	F3	F4	F5	Cl6
C1		1.3235	1.3091	1.3074	2.2994	2.6730
C2	1.3235		2.3168	2.3235	1.3243	1.7000
F3	1.3091	2.3168		2.1776	2.7154	3.9002
F4	1.3074	2.3235	2.1776		3.5200	3.0191
F5	2.2994	1.3243	2.7154	3.5200		2.5678
Cl6	2.6730	1.7000	3.9002	3.0191	2.5678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.545	C1	C2	Cl6	123.796
C2	C1	F3	123.286	C2	C1	F4	124.049
F3	C1	F4	112.665	F5	C2	Cl6	115.659

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.326
2	C	0.060
3	F	-0.112
4	F	-0.108
5	F	-0.124
6	Cl	-0.042

	x	y	z	Total
	0.266	-0.231	0.000	0.352
CHELPG
AIM
ESP

	x	y	z
x	6.906	0.982	0.000
y	0.982	5.678	0.000
z	0.000	0.000	3.291

<r²>	183.577
(<r²>)^1/2	13.549

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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