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	hartrees
Energy at 0K	-836.000996
Energy at 298.15K
HF Energy	-836.000996
Nuclear repulsion energy	295.325427

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'	1877	1796	62.39	23.28	0.30	0.46
2	A'	1371	1312	205.29	0.03	0.19	0.32
3	A'	1245	1191	239.95	0.45	0.30	0.47
4	A'	1084	1037	259.65	4.56	0.17	0.29
5	A'	713	683	4.61	8.17	0.10	0.18
6	A'	526	504	1.22	1.71	0.72	0.84
7	A'	468	448	0.37	3.07	0.36	0.53
8	A'	345	330	1.59	2.61	0.64	0.78
9	A'	188	180	3.02	0.63	0.62	0.77
10	A"	584	559	2.85	9.87	0.75	0.86
11	A"	383	366	0.99	0.42	0.75	0.86
12	A"	172	164	0.08	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.687	-0.657
C2	0.000	0.471
F3	-1.995	-0.702
F4	-0.142	-1.845
F5	-0.625	1.637
Cl6	1.704	0.548

	C1	C2	F3	F4	F5	Cl6
C1		1.3204	1.3085	1.3072	2.2953	2.6775
C2	1.3204		2.3136	2.3203	1.3236	1.7061
F3	1.3085	2.3136		2.1774	2.7104	3.9042
F4	1.3072	2.3203	2.1774		3.5160	3.0223
F5	2.2953	1.3236	2.7104	3.5160		2.5718
Cl6	2.6775	1.7061	3.9042	3.0223	2.5718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.472	C1	C2	Cl6	123.929
C2	C1	F3	123.295	C2	C1	F4	124.014
F3	C1	F4	112.692	F5	C2	Cl6	115.599

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

using model chemistry: B1B95/TZVP

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	0.367
2	C	0.043
3	F	-0.133
4	F	-0.136
5	F	-0.134
6	Cl	-0.006

	x	y	z	Total
	0.442	-0.223	0.000	0.495
CHELPG
AIM
ESP

	x	y	z
x	6.601	0.942	0.000
y	0.942	5.414	0.000
z	0.000	0.000	3.136

<r²>	184.007
(<r²>)^1/2	13.565

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

using model chemistry: B1B95/TZVP

States and conformations

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