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	hartrees
Energy at 0K	-450.686290
Energy at 298.15K	-450.688778
HF Energy	-449.603012
Nuclear repulsion energy	252.711155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3020	2881	52.85
2	A'	1857	1772	68.82
3	A'	1434	1368	44.61
4	A'	1363	1301	158.11
5	A'	1258	1200	216.43
6	A'	864	824	38.42
7	A'	719	686	38.10
8	A'	541	516	17.68
9	A'	442	421	4.49
10	A'	260	248	6.21
11	A"	1247	1190	306.52
12	A"	995	949	9.91
13	A"	543	518	2.23
14	A"	323	308	0.67
15	A"	74	70	12.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.362	0.000
C2	0.502	-1.099	0.000
O3	-0.257	-2.028	0.000
F4	-1.300	0.455	0.000
F5	0.502	0.986	1.083
F6	0.502	0.986	-1.083
H7	1.603	-1.196	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5377	2.4058	1.3237	1.3394	1.3394	2.2206
C2	1.5377		1.1997	2.3794	2.3488	2.3488	1.1056
O3	2.4058	1.1997		2.6935	3.2909	3.2909	2.0377
F4	1.3237	2.3794	2.6935		2.1682	2.1682	3.3398
F5	1.3394	2.3488	3.2909	2.1682		2.1663	2.6728
F6	1.3394	2.3488	3.2909	2.1682	2.1663		2.6728
H7	2.2206	1.1056	2.0377	3.3398	2.6728	2.6728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.525	C1	C2	H7	113.285
C2	C1	F4	112.299	C2	C1	F5	109.250
C2	C1	F6	109.250	O3	C2	H7	124.190
F4	C1	F5	109.008	F4	C1	F6	109.008
F5	C1	F6	107.928

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)