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	hartrees
Energy at 0K	-835.785113
Energy at 298.15K
HF Energy	-835.785113
Nuclear repulsion energy	294.468302

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'	1891	1793	55.18	17.75	0.37	0.55
2	A'	1409	1336	164.60	0.06	0.38	0.55
3	A'	1274	1208	214.45	0.33	0.25	0.41
4	A'	1093	1036	236.75	3.83	0.18	0.30
5	A'	712	675	5.18	7.96	0.12	0.21
6	A'	522	495	0.97	1.54	0.74	0.85
7	A'	466	442	0.41	2.47	0.37	0.54
8	A'	341	323	1.22	2.59	0.62	0.77
9	A'	187	177	2.86	0.58	0.63	0.78
10	A"	555	526	2.98	11.84	0.75	0.86
11	A"	383	364	1.31	0.32	0.75	0.86
12	A"	173	164	0.03	0.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.686	-0.664
C2	0.000	0.472
F3	-1.998	-0.708
F4	-0.131	-1.853
F5	-0.634	1.639
Cl6	1.705	0.556

	C1	C2	F3	F4	F5	Cl6
C1		1.3273	1.3132	1.3118	2.3037	2.6847
C2	1.3273		2.3206	2.3287	1.3278	1.7072
F3	1.3132	2.3206		2.1906	2.7144	3.9133
F4	1.3118	2.3287	2.1906		3.5278	3.0295
F5	2.3037	1.3278	2.7144	3.5278		2.5772
Cl6	2.6847	1.7072	3.9133	3.0295	2.5772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.371	C1	C2	Cl6	123.958
C2	C1	F3	123.008	C2	C1	F4	123.859
F3	C1	F4	113.132	F5	C2	Cl6	115.671

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

using model chemistry: mPW1PW91/6-31G*

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	0.553
2	C	0.077
3	F	-0.230
4	F	-0.226
5	F	-0.241
6	Cl	0.067

	x	y	z	Total
	0.090	-0.319	0.000	0.332
CHELPG
AIM
ESP

	x	y	z
x	6.233	1.011	0.000
y	1.011	5.046	0.000
z	0.000	0.000	2.520

<r²>	184.255
(<r²>)^1/2	13.574

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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