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	hartrees
Energy at 0K	-835.521823
Energy at 298.15K
HF Energy	-835.521823
Nuclear repulsion energy	295.012517

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'	1876	1800	63.32	21.81	0.31	0.47
2	A'	1370	1314	196.17	0.11	0.28	0.43
3	A'	1243	1192	235.19	0.37	0.38	0.56
4	A'	1080	1036	264.34	4.04	0.18	0.31
5	A'	711	682	4.53	7.58	0.12	0.22
6	A'	525	504	1.07	1.75	0.72	0.84
7	A'	468	449	0.38	2.53	0.42	0.59
8	A'	344	330	1.45	2.71	0.63	0.78
9	A'	189	181	3.18	0.68	0.67	0.80
10	A"	586	563	3.47	12.52	0.75	0.86
11	A"	387	371	0.92	0.59	0.75	0.86
12	A"	173	166	0.08	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	-1.849
F5	-0.626	1.640
Cl6	1.703	0.551

	C1	C2	F3	F4	F5	Cl6
C1		1.3244	1.3102	1.3089	2.3022	2.6785
C2	1.3244		2.3173	2.3249	1.3259	1.7044
F3	1.3102	2.3173		2.1818	2.7170	3.9060
F4	1.3089	2.3249	2.1818		3.5237	3.0239
F5	2.3022	1.3259	2.7170	3.5237		2.5711
Cl6	2.6785	1.7044	3.9060	3.0239	2.5711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.612	C1	C2	Cl6	123.863
C2	C1	F3	123.183	C2	C1	F4	123.990
F3	C1	F4	112.827	F5	C2	Cl6	115.525

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

using model chemistry: HSEh1PBE/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	0.013
3	F	-0.158
4	F	-0.156
5	F	-0.170
6	Cl	0.009

	x	y	z	Total
	0.208	-0.326	0.000	0.387
CHELPG
AIM
ESP

	x	y	z
x	6.422	0.978	0.000
y	0.978	4.939	0.000
z	0.000	0.000	2.454

<r²>	184.272
(<r²>)^1/2	13.575

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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