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	hartrees
Energy at 0K	-829.839368
Energy at 298.15K
HF Energy	-829.235986
Nuclear repulsion energy	285.646052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1858	1800	32.17
2	A'	1371	1328	85.21
3	A'	1237	1199	120.49
4	A'	1005	974	137.50
5	A'	646	626	9.14
6	A'	502	486	1.91
7	A'	415	403	1.41
8	A'	309	300	1.35
9	A'	183	177	4.84
10	A"	584	566	7.20
11	A"	377	366	5.26
12	A"	169	164	0.00

Atom	x (Å)	y (Å)
C1	-0.768	-0.580
C2	0.000	0.499
F3	-2.126	-0.539
F4	-0.280	-1.844
F5	-0.503	1.770
Cl6	1.811	0.353

	C1	C2	F3	F4	F5	Cl6
C1		1.3251	1.3586	1.3547	2.3650	2.7431
C2	1.3251		2.3664	2.3598	1.3663	1.8169
F3	1.3586	2.3664		2.2610	2.8226	4.0372
F4	1.3547	2.3598	2.2610		3.6205	3.0330
F5	2.3650	1.3663	2.8226	3.6205		2.7128
Cl6	2.7431	1.8169	4.0372	3.0330	2.7128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	122.972	C1	C2	Cl6	120.832
C2	C1	F3	123.704	C2	C1	F4	123.420
F3	C1	F4	112.876	F5	C2	Cl6	116.196

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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