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	hartrees
Energy at 0K	-835.956991
Energy at 298.15K
HF Energy	-835.956991
Nuclear repulsion energy	295.493110

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'	1884	1806	64.35	21.92	0.31	0.47
2	A'	1376	1319	198.67	0.11	0.28	0.43
3	A'	1248	1197	236.33	0.36	0.39	0.56
4	A'	1083	1038	266.58	3.92	0.18	0.31
5	A'	712	683	4.74	7.53	0.13	0.22
6	A'	524	502	1.15	1.77	0.72	0.84
7	A'	468	449	0.43	2.52	0.42	0.59
8	A'	341	327	1.47	2.69	0.64	0.78
9	A'	182	175	3.29	0.67	0.67	0.80
10	A"	587	563	3.58	12.09	0.75	0.86
11	A"	387	371	1.17	0.58	0.75	0.86
12	A"	174	167	0.07	0.11	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.685	-0.659
C2	0.000	0.471
F3	-1.992	-0.705
F4	-0.135	-1.846
F5	-0.626	1.638
Cl6	1.700	0.550

	C1	C2	F3	F4	F5	Cl6
C1		1.3217	1.3085	1.3072	2.2978	2.6733
C2	1.3217		2.3138	2.3207	1.3241	1.7014
F3	1.3085	2.3138		2.1790	2.7121	3.8994
F4	1.3072	2.3207	2.1790		3.5178	3.0174
F5	2.2978	1.3241	2.7121	3.5178		2.5679
Cl6	2.6733	1.7014	3.8994	3.0174	2.5679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.567	C1	C2	Cl6	123.846
C2	C1	F3	123.213	C2	C1	F4	123.958
F3	C1	F4	112.829	F5	C2	Cl6	115.587

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

using model chemistry: B1B95/6-311G*

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	0.464
2	C	0.016
3	F	-0.161
4	F	-0.159
5	F	-0.173
6	Cl	0.012

	x	y	z	Total
	0.247	-0.316	0.000	0.401
CHELPG
AIM
ESP

	x	y	z
x	6.395	0.972	0.000
y	0.972	4.913	0.000
z	0.000	0.000	2.443

<r²>	183.662
(<r²>)^1/2	13.552

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

using model chemistry: B1B95/6-311G*

States and conformations

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