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	hartrees
Energy at 0K	-450.437156
Energy at 298.15K	-450.439558
HF Energy	-449.479800
Nuclear repulsion energy	251.678382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3074	2896	44.74
2	A'	1806	1702	40.34
3	A'	1437	1354	33.60
4	A'	1373	1294	135.00
5	A'	1259	1187	201.33
6	A'	867	817	41.30
7	A'	708	667	33.34
8	A'	530	499	16.51
9	A'	434	409	4.32
10	A'	259	244	6.29
11	A"	1244	1172	283.27
12	A"	992	935	7.53
13	A"	528	498	1.75
14	A"	315	296	0.90
15	A"	67	63	12.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.358	0.000
C2	0.506	-1.089	0.000
O3	-0.267	-2.026	0.000
F4	-1.307	0.444	0.000
F5	0.506	0.988	1.091
F6	0.506	0.988	-1.091
H7	1.604	-1.197	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5255	2.4021	1.3333	1.3496	1.3496	2.2172
C2	1.5255		1.2152	2.3748	2.3465	2.3465	1.1031
O3	2.4021	1.2152		2.6807	3.2981	3.2981	2.0469
F4	1.3333	2.3748	2.6807		2.1853	2.1853	3.3419
F5	1.3496	2.3465	3.2981	2.1853		2.1826	2.6777
F6	1.3496	2.3465	3.2981	2.1853	2.1826		2.6777
H7	2.2172	1.1031	2.0469	3.3419	2.6777	2.6777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.020	C1	C2	H7	114.054
C2	C1	F4	112.168	C2	C1	F5	109.249
C2	C1	F6	109.249	O3	C2	H7	123.926
F4	C1	F5	109.078	F4	C1	F6	109.078
F5	C1	F6	107.925

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2=FULL/6-31G*

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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)