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	hartrees
Energy at 0K	-450.994112
Energy at 298.15K
HF Energy	-449.657004
Nuclear repulsion energy	252.729167

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.362	0.000
C2	0.502	-1.098	0.000
O3	-0.258	-2.030	0.000
F4	-1.299	0.457	0.000
F5	0.502	0.986	1.082
F6	0.502	0.986	-1.082
H7	1.599	-1.199	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5372	2.4082	1.3218	1.3391	1.3391	2.2204
C2	1.5372		1.2030	2.3789	2.3479	2.3479	1.1018
O3	2.4082	1.2030		2.6962	3.2933	3.2933	2.0347
F4	1.3218	2.3789	2.6962		2.1665	2.1665	3.3375
F5	1.3391	2.3479	3.2933	2.1665		2.1645	2.6734
F6	1.3391	2.3479	3.2933	2.1665	2.1645		2.6734
H7	2.2204	1.1018	2.0347	3.3375	2.6734	2.6734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.542	C1	C2	H7	113.547
C2	C1	F4	112.408	C2	C1	F5	109.232
C2	C1	F6	109.232	O3	C2	H7	123.911
F4	C1	F5	109.015	F4	C1	F6	109.015
F5	C1	F6	107.833

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CCSD(T)/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 CF3CHO (trifluoroacetaldehyde)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)