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	hartrees
Energy at 0K	-451.056835
Energy at 298.15K	-451.050388
HF Energy	-449.485173
Nuclear repulsion energy	256.098208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3054	43.46
2	A'	2079	1959	113.44
3	A'	1549	1459	72.19
4	A'	1489	1403	178.08
5	A'	1372	1293	235.90
6	A'	935	881	46.34
7	A'	771	727	51.62
8	A'	577	543	21.37
9	A'	474	447	4.63
10	A'	282	266	8.37
11	A"	1373	1294	328.25
12	A"	1099	1036	15.52
13	A"	577	544	3.47
14	A"	346	326	1.01
15	A"	83	78	17.69

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	122.272	C1	C2	H7	114.004
C2	C1	F4	112.556	C2	C1	F5	109.415
C2	C1	F6	109.415	O3	C2	H7	123.723
F4	C1	F5	108.793	F4	C1	F6	108.793
F5	C1	F6	107.751

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: G2

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: G2

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)