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	hartrees
Energy at 0K	-449.880768
Energy at 298.15K	-449.883159
HF Energy	-449.308247
Nuclear repulsion energy	247.820938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	2991	17.53
2	A'	1837	1718	41.52
3	A'	1481	1385	42.50
4	A'	1359	1271	105.46
5	A'	1268	1186	202.07
6	A'	857	802	53.29
7	A'	696	651	37.15
8	A'	517	484	26.84
9	A'	434	406	7.86
10	A'	268	250	7.55
11	A"	1259	1177	267.81
12	A"	1025	959	8.61
13	A"	511	478	5.22
14	A"	319	298	1.29
15	A"	56	52	18.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	0.346	0.000
C2	0.515	-1.095	0.000
O3	-0.254	-2.044	0.000
F4	-1.341	0.445	0.000
F5	0.515	1.002	1.115
F6	0.515	1.002	-1.115
H7	1.600	-1.197	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5217	2.4055	1.3688	1.3837	1.3837	2.2051
C2	1.5217		1.2210	2.4111	2.3749	2.3749	1.0901
O3	2.4055	1.2210		2.7156	3.3332	3.3332	2.0379
F4	1.3688	2.4111	2.7156		2.2353	2.2353	3.3681
F5	1.3837	2.3749	3.3332	2.2353		2.2301	2.6939
F6	1.3837	2.3749	3.3332	2.2353	2.2301		2.6939
H7	2.2051	1.0901	2.0379	3.3681	2.6939	2.6939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.199	C1	C2	H7	114.179
C2	C1	F4	112.951	C2	C1	F5	109.563
C2	C1	F6	109.563	O3	C2	H7	123.622
F4	C1	F5	108.608	F4	C1	F6	108.608
F5	C1	F6	107.390

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CID/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: CID/6-31G

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)