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	hartrees
Energy at 0K	-450.996077
Energy at 298.15K
HF Energy	-449.656809
Nuclear repulsion energy	252.603287

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.362	0.000
C2	0.502	-1.098	0.000
O3	-0.258	-2.031	0.000
F4	-1.300	0.457	0.000
F5	0.502	0.986	1.083
F6	0.502	0.986	-1.083
H7	1.599	-1.198	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5378	2.4095	1.3225	1.3398	1.3398	2.2208
C2	1.5378		1.2035	2.3801	2.3487	2.3487	1.1022
O3	2.4095	1.2035		2.6980	3.2948	3.2948	2.0355
F4	1.3225	2.3801	2.6980		2.1676	2.1676	3.3387
F5	1.3398	2.3487	3.2948	2.1676		2.1660	2.6739
F6	1.3398	2.3487	3.2948	2.1676	2.1660		2.6739
H7	2.2208	1.1022	2.0355	3.3387	2.6739	2.6739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.568	C1	C2	H7	113.514
C2	C1	F4	112.416	C2	C1	F5	109.222
C2	C1	F6	109.222	O3	C2	H7	123.918
F4	C1	F5	109.009	F4	C1	F6	109.009
F5	C1	F6	107.857

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

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

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)