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	hartrees
Energy at 0K	-835.182748
Energy at 298.15K
HF Energy	-834.979020
Nuclear repulsion energy	285.626298

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'	1841	1841	32.19	7.49	0.38	0.55
2	A'	1297	1297	115.29	0.67	0.54	0.70
3	A'	1180	1180	147.79	0.19	0.71	0.83
4	A'	1008	1008	182.31	1.72	0.12	0.22
5	A'	647	647	5.96	10.86	0.15	0.26
6	A'	489	489	1.81	2.60	0.75	0.86
7	A'	427	427	1.23	4.12	0.36	0.53
8	A'	318	318	1.52	3.74	0.67	0.80
9	A'	183	183	4.53	0.77	0.68	0.81
10	A"	531	531	3.61	12.99	0.75	0.86
11	A"	358	358	5.08	0.32	0.75	0.86
12	A"	163	163	0.04	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.717	-0.650
C2	0.000	0.470
F3	-2.081	-0.675
F4	-0.167	-1.899
F5	-0.627	1.697
Cl6	1.775	0.528

	C1	C2	F3	F4	F5	Cl6
C1		1.3304	1.3648	1.3641	2.3490	2.7567
C2	1.3304		2.3758	2.3753	1.3774	1.7763
F3	1.3648	2.3758		2.2718	2.7824	4.0401
F4	1.3641	2.3753	2.2718		3.6250	3.1087
F5	2.3490	1.3774	2.7824	3.6250		2.6717
Cl6	2.7567	1.7763	4.0401	3.1087	2.6717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.322	C1	C2	Cl6	124.452
C2	C1	F3	123.641	C2	C1	F4	123.649
F3	C1	F4	112.710	F5	C2	Cl6	115.226

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

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