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	hartrees
Energy at 0K	-835.831408
Energy at 298.15K
HF Energy	-835.831408
Nuclear repulsion energy	291.204663

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'	1761	1751	49.94	13.16	0.41	0.58
2	A'	1291	1284	154.25	0.25	0.50	0.66
3	A'	1180	1173	176.75	0.15	0.30	0.47
4	A'	1010	1004	199.17	4.32	0.21	0.35
5	A'	668	664	6.19	8.90	0.09	0.16
6	A'	500	497	0.80	1.20	0.70	0.83
7	A'	438	435	0.35	3.10	0.30	0.46
8	A'	325	324	1.11	2.46	0.60	0.75
9	A'	181	180	2.52	0.58	0.61	0.76
10	A"	509	506	1.49	7.80	0.75	0.86
11	A"	360	358	0.59	0.20	0.75	0.86
12	A"	161	160	0.01	0.04	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.705	-0.657
C2	0.000	0.483
F3	-2.032	-0.691
F4	-0.160	-1.865
F5	-0.613	1.673
Cl6	1.734	0.529

	C1	C2	F3	F4	F5	Cl6
C1		1.3408	1.3272	1.3245	2.3321	2.7121
C2	1.3408		2.3467	2.3535	1.3385	1.7346
F3	1.3272	2.3467		2.2087	2.7569	3.9584
F4	1.3245	2.3535	2.2087		3.5666	3.0528
F5	2.3321	1.3385	2.7569	3.5666		2.6113
Cl6	2.7121	1.7346	3.9584	3.0528	2.6113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.009	C1	C2	Cl6	123.227
C2	C1	F3	123.179	C2	C1	F4	124.017
F3	C1	F4	112.804	F5	C2	Cl6	115.764

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.156
2	C	-0.047
3	F	0.005
4	F	0.009
5	F	-0.014
6	Cl	-0.109

	x	y	z	Total
	-0.045	-0.239	0.000	0.244
CHELPG
AIM
ESP

	x	y	z
x	7.207	1.017	0.000
y	1.017	5.859	0.000
z	0.000	0.000	3.291

<r²>	187.847
(<r²>)^1/2	13.706

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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