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	hartrees
Energy at 0K	-450.421116
Energy at 298.15K	-450.423558
HF Energy	-449.481452
Nuclear repulsion energy	252.236444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3065	2901	38.30
2	A'	1891	1790	47.43
3	A'	1448	1371	46.82
4	A'	1394	1319	144.59
5	A'	1286	1217	191.27
6	A'	876	830	39.71
7	A'	717	679	37.62
8	A'	537	508	17.54
9	A'	441	418	4.46
10	A'	263	249	6.44
11	A"	1282	1213	287.57
12	A"	995	941	4.64
13	A"	535	507	2.25
14	A"	319	302	0.97
15	A"	66	63	13.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	0.358	0.000
C2	0.505	-1.094	0.000
O3	-0.266	-2.021	0.000
F4	-1.304	0.447	0.000
F5	0.505	0.987	1.088
F6	0.505	0.987	-1.088
H7	1.603	-1.208	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5291	2.3965	1.3306	1.3455	1.3455	2.2237
C2	1.5291		1.2063	2.3758	2.3478	2.3478	1.1042
O3	2.3965	1.2063		2.6771	3.2904	3.2904	2.0389
F4	1.3306	2.3758	2.6771		2.1785	2.1785	3.3448
F5	1.3455	2.3478	3.2904	2.1785		2.1752	2.6843
F6	1.3455	2.3478	3.2904	2.1785	2.1752		2.6843
H7	2.2237	1.1042	2.0389	3.3448	2.6843	2.6843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	121.914	C1	C2	H7	114.265
C2	C1	F4	112.176	C2	C1	F5	109.356
C2	C1	F6	109.356	O3	C2	H7	123.822
F4	C1	F5	108.993	F4	C1	F6	108.993
F5	C1	F6	107.870

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

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

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)