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	hartrees
Energy at 0K	-449.990181
Energy at 298.15K	-449.992399
HF Energy	-449.300834
Nuclear repulsion energy	244.415772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	2959	26.71
2	A'	1622	1541	15.14
3	A'	1426	1355	22.16
4	A'	1285	1221	92.28
5	A'	1185	1126	190.45
6	A'	813	772	54.18
7	A'	658	625	25.97
8	A'	492	467	22.83
9	A'	411	391	7.28
10	A'	256	243	6.37
11	A"	1170	1112	241.73
12	A"	974	925	14.67
13	A"	487	463	3.37
14	A"	301	286	1.03
15	A"	50	47	15.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.027	0.349	0.000
C2	0.522	-1.099	0.000
O3	-0.261	-2.074	0.000
F4	-1.358	0.443	0.000
F5	0.522	1.017	1.132
F6	0.522	1.017	-1.132
H7	1.615	-1.199	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5296	2.4394	1.3883	1.4047	1.4047	2.2170
C2	1.5296		1.2508	2.4317	2.3990	2.3990	1.0971
O3	2.4394	1.2508		2.7457	3.3830	3.3830	2.0699
F4	1.3883	2.4317	2.7457		2.2686	2.2686	3.3962
F5	1.4047	2.3990	3.3830	2.2686		2.2643	2.7170
F6	1.4047	2.3990	3.3830	2.2686	2.2643		2.7170
H7	2.2170	1.0971	2.0699	3.3962	2.7170	2.7170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.329	C1	C2	H7	114.128
C2	C1	F4	112.802	C2	C1	F5	109.610
C2	C1	F6	109.610	O3	C2	H7	123.543
F4	C1	F5	108.627	F4	C1	F6	108.627
F5	C1	F6	107.411

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)