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	hartrees
Energy at 0K	-835.753345
Energy at 298.15K
HF Energy	-835.753345
Nuclear repulsion energy	286.098760

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'	1831	1762	30.75	9.29	0.37	0.54
2	A'	1290	1241	128.77	0.62	0.53	0.69
3	A'	1178	1133	155.86	0.13	0.63	0.78
4	A'	1003	965	195.52	2.22	0.12	0.21
5	A'	647	623	7.32	11.35	0.14	0.25
6	A'	484	466	1.72	2.62	0.75	0.85
7	A'	425	409	0.97	3.98	0.36	0.53
8	A'	313	301	1.25	3.84	0.67	0.80
9	A'	176	170	4.18	0.75	0.68	0.81
10	A"	524	504	3.07	13.47	0.75	0.86
11	A"	360	347	3.02	0.33	0.75	0.86
12	A"	161	155	0.04	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.716	-0.648
C2	0.000	0.473
F3	-2.079	-0.673
F4	-0.170	-1.896
F5	-0.619	1.699
Cl6	1.771	0.522

	C1	C2	F3	F4	F5	Cl6
C1		1.3309	1.3630	1.3618	2.3499	2.7491
C2	1.3309		2.3741	2.3748	1.3737	1.7718
F3	1.3630	2.3741		2.2676	2.7856	4.0314
F4	1.3618	2.3748	2.2676		3.6231	3.1001
F5	2.3499	1.3737	2.7856	3.6231		2.6645
Cl6	2.7491	1.7718	4.0314	3.1001	2.6645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.644	C1	C2	Cl6	124.149
C2	C1	F3	123.593	C2	C1	F4	123.752
F3	C1	F4	112.655	F5	C2	Cl6	115.207

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

using model chemistry: TPSSh/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	0.571
2	C	0.007
3	F	-0.254
4	F	-0.255
5	F	-0.256
6	Cl	0.188

	x	y	z	Total
	0.398	-0.156	0.000	0.427
CHELPG
AIM
ESP

	x	y	z
x	6.535	0.874	0.000
y	0.874	4.861	0.000
z	0.000	0.000	1.859

<r²>	194.372
(<r²>)^1/2	13.942

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

using model chemistry: TPSSh/6-31G

States and conformations

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