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	hartrees
Energy at 0K	-835.751689
Energy at 298.15K
HF Energy	-835.288842
Nuclear repulsion energy	294.967377

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'	1840	1840	65.38	22.98	0.30	0.46
2	A'	1342	1342	179.55	0.34	0.50	0.67
3	A'	1221	1221	203.42	0.55	0.48	0.65
4	A'	1074	1074	235.71	4.01	0.34	0.51
5	A'	704	704	2.94	9.64	0.06	0.11
6	A'	524	524	1.00	1.04	0.69	0.82
7	A'	468	468	0.68	2.59	0.23	0.37
8	A'	344	344	1.37	2.09	0.50	0.67
9	A'	191	191	2.55	0.46	0.55	0.71
10	A"	582	582	2.22	7.05	0.75	0.86
11	A"	381	381	1.15	0.10	0.75	0.86
12	A"	173	173	0.06	0.01	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.675	-0.670
C2	0.000	0.471
F3	-1.986	-0.733
F4	-0.115	-1.855
F5	-0.649	1.630
Cl6	1.694	0.577

	C1	C2	F3	F4	F5	Cl6
C1		1.3254	1.3120	1.3105	2.3003	2.6774
C2	1.3254		2.3222	2.3283	1.3290	1.6975
F3	1.3120	2.3222		2.1808	2.7154	3.9062
F4	1.3105	2.3283	2.1808		3.5257	3.0310
F5	2.3003	1.3290	2.7154	3.5257		2.5693
Cl6	2.6774	1.6975	3.9062	3.0310	2.5693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.135	C1	C2	Cl6	124.209
C2	C1	F3	123.398	C2	C1	F4	124.083
F3	C1	F4	112.519	F5	C2	Cl6	115.656

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

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

States and conformations

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