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	hartrees
Energy at 0K	-450.509096
Energy at 298.15K	-450.511587
HF Energy	-449.508316
Nuclear repulsion energy	252.398424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3039	2907	48.92
2	A'	1893	1811	59.05
3	A'	1432	1370	49.28
4	A'	1380	1320	173.03
5	A'	1272	1217	210.54
6	A'	868	830	37.23
7	A'	722	691	37.80
8	A'	543	520	17.73
9	A'	445	425	4.56
10	A'	258	246	6.09
11	A"	1270	1215	314.53
12	A"	993	950	6.99
13	A"	544	521	2.52
14	A"	319	305	0.56
15	A"	74	71	11.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.361	0.000
C2	0.502	-1.099	0.000
O3	-0.259	-2.029	0.000
F4	-1.302	0.452	0.000
F5	0.502	0.988	1.084
F6	0.502	0.988	-1.084
H7	1.612	-1.200	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5373	2.4068	1.3263	1.3411	1.3411	2.2285
C2	1.5373		1.2021	2.3792	2.3519	2.3519	1.1145
O3	2.4068	1.2021		2.6915	3.2953	3.2953	2.0471
F4	1.3263	2.3792	2.6915		2.1715	2.1715	3.3495
F5	1.3411	2.3519	3.2953	2.1715		2.1672	2.6821
F6	1.3411	2.3519	3.2953	2.1715	2.1672		2.6821
H7	2.2285	1.1145	2.0471	3.3495	2.6821	2.6821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.469	C1	C2	H7	113.401
C2	C1	F4	112.160	C2	C1	F5	109.398
C2	C1	F6	109.398	O3	C2	H7	124.130
F4	C1	F5	108.990	F4	C1	F6	108.990
F5	C1	F6	107.804

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)