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	hartrees
Energy at 0K	-451.088045
Energy at 298.15K	-451.081690
HF Energy	-449.473131
Nuclear repulsion energy	256.404521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3214	46.25
2	A'	2079	2079	127.77
3	A'	1540	1540	77.47
4	A'	1477	1477	200.55
5	A'	1361	1361	257.76
6	A'	930	930	46.02
7	A'	776	776	52.83
8	A'	581	581	22.68
9	A'	476	476	4.93
10	A'	278	278	8.47
11	A"	1361	1361	352.75
12	A"	1095	1095	18.64
13	A"	585	585	3.64
14	A"	346	346	0.90
15	A"	86	86	18.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.356	0.000
C2	0.493	-1.097	0.000
O3	-0.255	-2.002	0.000
F4	-1.278	0.460	0.000
F5	0.493	0.974	1.064
F6	0.493	0.974	-1.064
H7	1.581	-1.210	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5289	2.3744	1.3025	1.3184	1.3184	2.2113
C2	1.5289		1.1741	2.3590	2.3286	2.3286	1.0931
O3	2.3744	1.1741		2.6664	3.2479	3.2479	1.9991
F4	1.3025	2.3590	2.6664		2.1298	2.1298	3.3112
F5	1.3184	2.3286	3.2479	2.1298		2.1290	2.6617
F6	1.3184	2.3286	3.2479	2.1298	2.1290		2.6617
H7	2.2113	1.0931	1.9991	3.3112	2.6617	2.6617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.368	C1	C2	H7	113.961
C2	C1	F4	112.605	C2	C1	F5	109.516
C2	C1	F6	109.516	O3	C2	H7	123.671
F4	C1	F5	108.698	F4	C1	F6	108.698
F5	C1	F6	107.680

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)