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	hartrees
Energy at 0K	-835.197302
Energy at 298.15K
HF Energy	-835.197302
Nuclear repulsion energy	284.958041

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'	1785	1760	27.51	7.14	0.38	0.55
2	A'	1261	1244	130.01	0.62	0.51	0.68
3	A'	1156	1140	148.91	0.11	0.47	0.64
4	A'	981	967	187.48	2.57	0.12	0.21
5	A'	636	627	7.53	11.19	0.14	0.25
6	A'	475	469	1.51	2.29	0.75	0.86
7	A'	418	412	0.74	3.99	0.37	0.55
8	A'	311	307	1.10	3.94	0.67	0.80
9	A'	177	175	3.68	0.77	0.67	0.80
10	A"	503	496	2.23	12.64	0.75	0.86
11	A"	350	345	1.74	0.33	0.75	0.86
12	A"	155	153	0.03	0.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.722	-0.649
C2	0.000	0.480
F3	-2.090	-0.668
F4	-0.172	-1.901
F5	-0.615	1.712
Cl6	1.778	0.514

	C1	C2	F3	F4	F5	Cl6
C1		1.3399	1.3685	1.3669	2.3636	2.7572
C2	1.3399		2.3845	2.3867	1.3774	1.7785
F3	1.3685	2.3845		2.2798	2.8001	4.0448
F4	1.3669	2.3867	2.2798		3.6399	3.1040
F5	2.3636	1.3774	2.8001	3.6399		2.6766
Cl6	2.7572	1.7785	4.0448	3.1040	2.6766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.881	C1	C2	Cl6	123.688
C2	C1	F3	123.383	C2	C1	F4	123.709
F3	C1	F4	112.908	F5	C2	Cl6	115.431

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

using model chemistry: PBEPBE/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	0.505
2	C	-0.023
3	F	-0.221
4	F	-0.222
5	F	-0.223
6	Cl	0.184

	x	y	z	Total
	0.283	-0.149	0.000	0.320
CHELPG
AIM
ESP

	x	y	z
x	6.709	0.842	0.000
y	0.842	4.972	0.000
z	0.000	0.000	1.892

<r²>	195.505
(<r²>)^1/2	13.982

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

using model chemistry: PBEPBE/6-31G

States and conformations

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