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	hartrees
Energy at 0K	-450.422141
Energy at 298.15K
HF Energy	-449.483890
Nuclear repulsion energy	252.606029

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.363	0.000
C2	0.503	-1.094	0.000
O3	-0.260	-2.022	0.000
F4	-1.302	0.444	0.000
F5	0.503	0.987	1.089
F6	0.503	0.987	-1.089
H7	1.598	-1.196	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5343	2.4022	1.3273	1.3431	1.3431	2.2164
C2	1.5343		1.2015	2.3711	2.3480	2.3480	1.0999
O3	2.4022	1.2015		2.6770	3.2892	3.2892	2.0335
F4	1.3273	2.3711	2.6770		2.1766	2.1766	3.3314
F5	1.3431	2.3480	3.2892	2.1766		2.1771	2.6732
F6	1.3431	2.3480	3.2892	2.1766	2.1771		2.6732
H7	2.2164	1.0999	2.0335	3.3314	2.6732	2.6732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.348	C1	C2	H7	113.548
C2	C1	F4	111.707	C2	C1	F5	109.195
C2	C1	F6	109.195	O3	C2	H7	124.104
F4	C1	F5	109.194	F4	C1	F6	109.194
F5	C1	F6	108.292

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)