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	hartrees
Energy at 0K	-835.821015
Energy at 298.15K
HF Energy	-835.821015
Nuclear repulsion energy	294.886840

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'	1897	1812	55.46	17.49	0.38	0.55
2	A'	1414	1350	166.79	0.06	0.37	0.54
3	A'	1278	1221	214.54	0.32	0.26	0.41
4	A'	1095	1045	237.41	3.76	0.18	0.30
5	A'	713	680	5.35	7.91	0.12	0.21
6	A'	519	496	1.04	1.57	0.74	0.85
7	A'	465	444	0.47	2.44	0.37	0.54
8	A'	337	321	1.23	2.57	0.63	0.77
9	A'	179	171	2.93	0.58	0.63	0.78
10	A"	555	530	2.95	11.41	0.75	0.86
11	A"	383	365	1.49	0.31	0.75	0.86
12	A"	173	165	0.03	0.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.684	-0.663
C2	0.000	0.472
F3	-1.995	-0.708
F4	-0.128	-1.850
F5	-0.635	1.637
Cl6	1.702	0.555

	C1	C2	F3	F4	F5	Cl6
C1		1.3253	1.3119	1.3106	2.3005	2.6790
C2	1.3253		2.3181	2.3254	1.3266	1.7037
F3	1.3119	2.3181		2.1886	2.7111	3.9069
F4	1.3106	2.3254	2.1886		3.5234	3.0222
F5	2.3005	1.3266	2.7111	3.5234		2.5745
Cl6	2.6790	1.7037	3.9069	3.0222	2.5745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.339	C1	C2	Cl6	123.885
C2	C1	F3	123.045	C2	C1	F4	123.819
F3	C1	F4	113.136	F5	C2	Cl6	115.776

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

using model chemistry: B1B95/6-31G**

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	0.546
2	C	0.082
3	F	-0.229
4	F	-0.225
5	F	-0.240
6	Cl	0.066

	x	y	z	Total
	0.121	-0.306	0.000	0.329
CHELPG
AIM
ESP

	x	y	z
x	6.212	1.003	0.000
y	1.003	5.024	0.000
z	0.000	0.000	2.513

<r²>	183.713
(<r²>)^1/2	13.554

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

using model chemistry: B1B95/6-31G**

States and conformations

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