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	hartrees
Energy at 0K	-835.586553
Energy at 298.15K
HF Energy	-835.586553
Nuclear repulsion energy	288.550082

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'	1915	1915	36.82	12.39	0.35	0.52
2	A'	1371	1371	120.43	0.46	0.53	0.69
3	A'	1248	1248	155.55	0.16	0.70	0.83
4	A'	1056	1056	187.46	1.60	0.13	0.23
5	A'	677	677	6.22	10.07	0.15	0.26
6	A'	502	502	1.93	2.60	0.74	0.85
7	A'	442	442	1.62	3.71	0.37	0.54
8	A'	324	324	1.55	3.42	0.67	0.80
9	A'	182	182	4.48	0.74	0.68	0.81
10	A"	590	590	4.21	13.26	0.75	0.86
11	A"	374	374	6.11	0.39	0.75	0.86
12	A"	168	168	0.04	0.08	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.711	-0.643
C2	0.000	0.469
F3	-2.061	-0.668
F4	-0.166	-1.879
F5	-0.617	1.683
Cl6	1.757	0.519

	C1	C2	F3	F4	F5	Cl6
C1		1.3202	1.3507	1.3500	2.3285	2.7272
C2	1.3202		2.3540	2.3535	1.3620	1.7572
F3	1.3507	2.3540		2.2492	2.7590	3.9978
F4	1.3500	2.3535	2.2492		3.5902	3.0726
F5	2.3285	1.3620	2.7590	3.5902		2.6441
Cl6	2.7272	1.7572	3.9978	3.0726	2.6441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.477	C1	C2	Cl6	124.185
C2	C1	F3	123.610	C2	C1	F4	123.615
F3	C1	F4	112.775	F5	C2	Cl6	115.337

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

using model chemistry: M06-2X/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	0.612
2	C	0.015
3	F	-0.276
4	F	-0.278
5	F	-0.281
6	Cl	0.209

	x	y	z	Total
	0.539	-0.146	0.000	0.558
CHELPG
AIM
ESP

	x	y	z
x	6.134	0.871	0.000
y	0.871	4.562	0.000
z	0.000	0.000	1.797

<r²>	191.751
(<r²>)^1/2	13.847

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

using model chemistry: M06-2X/6-31G

States and conformations

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