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	hartrees
Energy at 0K	-450.435898
Energy at 298.15K	-450.438304
HF Energy	-449.480415
Nuclear repulsion energy	251.683739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3047	2901	44.44
2	A'	1855	1767	55.91
3	A'	1437	1368	44.42
4	A'	1380	1314	137.56
5	A'	1271	1210	192.18
6	A'	867	826	40.99
7	A'	710	676	36.03
8	A'	531	506	17.39
9	A'	436	415	4.32
10	A'	260	248	6.49
11	A"	1263	1203	283.23
12	A"	988	941	5.83
13	A"	530	505	2.13
14	A"	315	300	0.92
15	A"	65	62	13.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.359	0.000
C2	0.506	-1.094	0.000
O3	-0.266	-2.027	0.000
F4	-1.307	0.448	0.000
F5	0.506	0.989	1.090
F6	0.506	0.989	-1.090
H7	1.606	-1.204	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5308	2.4028	1.3333	1.3486	1.3486	2.2238
C2	1.5308		1.2105	2.3798	2.3511	2.3511	1.1052
O3	2.4028	1.2105		2.6844	3.2981	3.2981	2.0445
F4	1.3333	2.3798	2.6844		2.1835	2.1835	3.3483
F5	1.3486	2.3511	3.2981	2.1835		2.1806	2.6845
F6	1.3486	2.3511	3.2981	2.1835	2.1806		2.6845
H7	2.2238	1.1052	2.0445	3.3483	2.6845	2.6845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.012	C1	C2	H7	114.077
C2	C1	F4	112.203	C2	C1	F5	109.313
C2	C1	F6	109.313	O3	C2	H7	123.912
F4	C1	F5	109.010	F4	C1	F6	109.010
F5	C1	F6	107.895

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)