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	hartrees
Energy at 0K	-834.893014
Energy at 298.15K
HF Energy	-833.648262
Nuclear repulsion energy	295.210136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1908	1781	59.95
2	A'	1415	1321	162.14
3	A'	1283	1198	205.91
4	A'	1105	1031	230.00
5	A'	718	671	3.48
6	A'	533	498	1.33
7	A'	474	443	0.86
8	A'	348	324	1.50
9	A'	193	180	2.70
10	A"	596	556	2.47
11	A"	394	368	1.75
12	A"	177	165	0.04

Atom	x (Å)	y (Å)
C1	-0.686	-0.660
C2	0.000	0.471
F3	-1.993	-0.710
F4	-0.138	-1.847
F5	-0.630	1.637
Cl6	1.703	0.554

	C1	C2	F3	F4	F5	Cl6
C1		1.3231	1.3081	1.3067	2.2975	2.6797
C2	1.3231		2.3167	2.3223	1.3244	1.7054
F3	1.3081	2.3167		2.1749	2.7140	3.9062
F4	1.3067	2.3223	2.1749		3.5179	3.0256
F5	2.2975	1.3244	2.7140	3.5179		2.5721
Cl6	2.6797	1.7054	3.9062	3.0256	2.5721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.406	C1	C2	Cl6	123.977
C2	C1	F3	123.404	C2	C1	F4	124.030
F3	C1	F4	112.566	F5	C2	Cl6	115.617

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

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

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