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	hartrees
Energy at 0K	-98.731029
Energy at 298.15K
HF Energy	-98.731029
Nuclear repulsion energy	125.377339

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'	1849	1786	55.86	24.20	0.37	0.54
2	A'	1339	1293	185.86	0.22	0.53	0.69
3	A'	1214	1172	234.57	0.52	0.17	0.29
4	A'	1048	1012	260.59	4.61	0.15	0.26
5	A'	687	663	4.92	9.77	0.13	0.23
6	A'	501	484	0.97	2.01	0.73	0.84
7	A'	449	433	0.34	3.40	0.42	0.59
8	A'	330	319	1.40	2.93	0.64	0.78
9	A'	181	175	2.96	0.87	0.64	0.78
10	A"	487	471	2.54	18.01	0.75	0.86
11	A"	358	346	0.32	0.76	0.75	0.86
12	A"	163	158	0.10	0.14	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.694	-0.684
C2	0.000	0.484
F3	-2.025	-0.744
F4	-0.125	-1.887
F5	-0.654	1.661
Cl6	1.730	0.584

	C1	C2	F3	F4	F5	Cl6
C1		1.3593	1.3319	1.3305	2.3459	2.7359
C2	1.3593		2.3684	2.3743	1.3467	1.7326
F3	1.3319	2.3684		2.2170	2.7684	3.9827
F4	1.3305	2.3743	2.2170		3.5873	3.0896
F5	2.3459	1.3467	2.7684	3.5873		2.6162
Cl6	2.7359	1.7326	3.9827	3.0896	2.6162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.205	C1	C2	Cl6	124.026
C2	C1	F3	123.297	C2	C1	F4	123.945
F3	C1	F4	112.758	F5	C2	Cl6	115.768

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

using model chemistry: B3LYP/CEP-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	0.198
2	C	0.095
3	F	-0.084
4	F	-0.078
5	F	-0.092
6	Cl	-0.039

	x	y	z	Total
	0.439	-0.225	0.000	0.493
CHELPG
AIM
ESP

	x	y	z
x	6.778	1.093	0.000
y	1.093	5.390	0.000
z	0.000	0.000	2.646

<r²>	131.620
(<r²>)^1/2	11.473

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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