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	hartrees
Energy at 0K	-835.412356
Energy at 298.15K
HF Energy	-835.412356
Nuclear repulsion energy	294.128941

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'	1879	1794	58.31	24.77	0.32	0.49
2	A'	1365	1304	202.67	0.17	0.49	0.65
3	A'	1241	1184	226.46	0.59	0.42	0.59
4	A'	1085	1036	255.85	4.30	0.27	0.43
5	A'	708	676	3.99	9.37	0.07	0.14
6	A'	518	495	1.30	1.54	0.74	0.85
7	A'	466	445	0.73	2.66	0.32	0.49
8	A'	342	326	1.42	2.52	0.56	0.72
9	A'	188	179	2.84	0.48	0.65	0.79
10	A"	567	541	2.86	10.19	0.75	0.86
11	A"	380	363	1.28	0.21	0.75	0.86
12	A"	171	164	0.07	0.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.675	-0.676
C2	0.000	0.469
F3	-1.990	-0.740
F4	-0.109	-1.864
F5	-0.656	1.628
Cl6	1.697	0.589

	C1	C2	F3	F4	F5	Cl6
C1		1.3283	1.3167	1.3158	2.3038	2.6875
C2	1.3283		2.3278	2.3350	1.3323	1.7009
F3	1.3167	2.3278		2.1910	2.7174	3.9186
F4	1.3158	2.3350	2.1910		3.5345	3.0461
F5	2.3038	1.3323	2.7174	3.5345		2.5720
Cl6	2.6875	1.7009	3.9186	3.0461	2.5720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.971	C1	C2	Cl6	124.591
C2	C1	F3	123.303	C2	C1	F4	124.032
F3	C1	F4	112.665	F5	C2	Cl6	115.438

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

using model chemistry: HSEh1PBE/6-31+G**

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	0.475
2	C	0.132
3	F	-0.269
4	F	-0.281
5	F	-0.238
6	Cl	0.181

	x	y	z	Total
	0.488	-0.205	0.000	0.529
CHELPG
AIM
ESP

	x	y	z
x	6.963	1.067	0.000
y	1.067	5.967	0.000
z	0.000	0.000	3.493

<r²>	185.491
(<r²>)^1/2	13.620

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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