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	hartrees
Energy at 0K	-835.955721
Energy at 298.15K
HF Energy	-835.955721
Nuclear repulsion energy	289.894269

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'	1748	1743	50.48	15.14	0.34	0.50
2	A'	1247	1244	179.69	0.26	0.30	0.46
3	A'	1139	1136	214.55	0.13	0.35	0.52
4	A'	991	988	242.39	4.08	0.16	0.28
5	A'	659	657	5.44	9.00	0.13	0.23
6	A'	495	494	0.94	1.85	0.71	0.83
7	A'	433	432	0.35	3.26	0.40	0.57
8	A'	327	327	1.38	3.15	0.63	0.78
9	A'	183	183	3.00	0.80	0.67	0.80
10	A"	515	513	2.34	11.63	0.75	0.86
11	A"	355	354	0.49	0.61	0.75	0.86
12	A"	160	160	0.06	0.12	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.701	-0.665
C2	0.000	0.477
F3	-2.036	-0.703
F4	-0.151	-1.880
F5	-0.628	1.672
Cl6	1.737	0.549

	C1	C2	F3	F4	F5	Cl6
C1		1.3395	1.3360	1.3342	2.3375	2.7235
C2	1.3395		2.3534	2.3619	1.3498	1.7390
F3	1.3360	2.3534		2.2227	2.7609	3.9759
F4	1.3342	2.3619	2.2227		3.5838	3.0765
F5	2.3375	1.3498	2.7609	3.5838		2.6185
Cl6	2.7235	1.7390	3.9759	3.0765	2.6185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.728	C1	C2	Cl6	123.913
C2	C1	F3	123.194	C2	C1	F4	124.105
F3	C1	F4	112.702	F5	C2	Cl6	115.360

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

using model chemistry: BLYP/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	0.420
2	C	0.016
3	F	-0.145
4	F	-0.142
5	F	-0.155
6	Cl	0.006

	x	y	z	Total
	0.176	-0.279	0.000	0.330
CHELPG
AIM
ESP

	x	y	z
x	6.965	0.988	0.000
y	0.988	5.237	0.000
z	0.000	0.000	2.496

<r²>	190.099
(<r²>)^1/2	13.788

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

using model chemistry: BLYP/6-311G*

States and conformations

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