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	hartrees
Energy at 0K	-835.625397
Energy at 298.15K
HF Energy	-835.625397
Nuclear repulsion energy	287.903201

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'	1892	1892	35.30	12.99	0.35	0.52
2	A'	1331	1331	124.25	0.40	0.52	0.69
3	A'	1215	1215	164.42	0.12	0.50	0.67
4	A'	1040	1040	199.10	1.98	0.13	0.23
5	A'	670	670	5.59	10.46	0.14	0.25
6	A'	499	499	1.65	2.43	0.75	0.86
7	A'	441	441	1.18	3.53	0.38	0.55
8	A'	327	327	1.48	3.57	0.67	0.80
9	A'	187	187	4.41	0.75	0.67	0.80
10	A"	574	574	3.83	14.18	0.75	0.86
11	A"	373	373	4.99	0.33	0.75	0.86
12	A"	166	166	0.04	0.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.712	-0.647
C2	0.000	0.469
F3	-2.065	-0.672
F4	-0.169	-1.885
F5	-0.618	1.686
Cl6	1.761	0.524

	C1	C2	F3	F4	F5	Cl6
C1		1.3234	1.3529	1.3522	2.3342	2.7357
C2	1.3234		2.3588	2.3597	1.3646	1.7616
F3	1.3529	2.3588		2.2510	2.7660	4.0078
F4	1.3522	2.3597	2.2510		3.5986	3.0860
F5	2.3342	1.3646	2.7660	3.5986		2.6471
Cl6	2.7357	1.7616	4.0078	3.0860	2.6471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.534	C1	C2	Cl6	124.335
C2	C1	F3	123.613	C2	C1	F4	123.752
F3	C1	F4	112.635	F5	C2	Cl6	115.131

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

using model chemistry: wB97X-D/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	0.590
2	C	0.011
3	F	-0.264
4	F	-0.265
5	F	-0.269
6	Cl	0.196

	x	y	z	Total
	0.456	-0.174	0.000	0.488
CHELPG
AIM
ESP

	x	y	z
x	6.240	0.891	0.000
y	0.891	4.700	0.000
z	0.000	0.000	1.821

<r²>	192.448
(<r²>)^1/2	13.873

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

using model chemistry: wB97X-D/6-31G

States and conformations

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