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	hartrees
Energy at 0K	-834.630538
Energy at 298.15K
HF Energy	-833.530152
Nuclear repulsion energy	290.349641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1819	1774
2	A'	1299	1267
3	A'	1179	1150
4	A'	1041	1015
5	A'	672	655
6	A'	503	490
7	A'	453	442
8	A'	331	323
9	A'	182	177
10	A"	509	497
11	A"	356	348
12	A"	168	163

Atom	x (Å)	y (Å)
C1	-0.677	-0.688
C2	0.000	0.475
F3	-2.011	-0.760
F4	-0.098	-1.890
F5	-0.676	1.647
Cl6	1.713	0.606

	C1	C2	F3	F4	F5	Cl6
C1		1.3454	1.3353	1.3344	2.3351	2.7181
C2	1.3454		2.3593	2.3661	1.3535	1.7181
F3	1.3353	2.3593		2.2222	2.7523	3.9663
F4	1.3344	2.3661	2.2222		3.5838	3.0829
F5	2.3351	1.3535	2.7523	3.5838		2.6062
Cl6	2.7181	1.7181	3.9663	3.0829	2.6062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.811	C1	C2	Cl6	124.611
C2	C1	F3	123.313	C2	C1	F4	124.004
F3	C1	F4	112.684	F5	C2	Cl6	115.578

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

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