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	hartrees
Energy at 0K	-451.005871
Energy at 298.15K
HF Energy	-449.655527
Nuclear repulsion energy	251.970520

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.363	0.000
C2	0.502	-1.098	0.000
O3	-0.255	-2.039	0.000
F4	-1.303	0.458	0.000
F5	0.502	0.989	1.086
F6	0.502	0.989	-1.086
H7	1.602	-1.193	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5384	2.4170	1.3261	1.3436	1.3436	2.2187
C2	1.5384		1.2082	2.3835	2.3524	2.3524	1.1031
O3	2.4170	1.2082		2.7074	3.3045	3.3045	2.0407
F4	1.3261	2.3835	2.7074		2.1733	2.1733	3.3410
F5	1.3436	2.3524	3.3045	2.1733		2.1722	2.6732
F6	1.3436	2.3524	3.3045	2.1733	2.1722		2.6732
H7	2.2187	1.1031	2.0407	3.3410	2.6732	2.6732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.836	C1	C2	H7	113.238
C2	C1	F4	112.418	C2	C1	F5	109.234
C2	C1	F6	109.234	O3	C2	H7	123.926
F4	C1	F5	108.989	F4	C1	F6	108.989
F5	C1	F6	107.872

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP4/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: MP4/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)