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	hartrees
Energy at 0K	-449.983275
Energy at 298.15K	-449.985492
HF Energy	-449.300764
Nuclear repulsion energy	244.383584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	2979	26.77
2	A'	1621	1551	15.17
3	A'	1426	1364	22.14
4	A'	1285	1229	92.23
5	A'	1185	1133	190.58
6	A'	813	778	54.32
7	A'	658	629	25.93
8	A'	492	470	22.84
9	A'	411	393	7.28
10	A'	256	245	6.37
11	A"	1170	1119	241.77
12	A"	973	931	14.73
13	A"	487	466	3.36
14	A"	301	288	1.03
15	A"	50	48	15.33

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		1.5299	2.4398	1.3885	1.4049	1.4049	2.2173
C2	1.5299		1.2509	2.4321	2.3994	2.3994	1.0971
O3	2.4398	1.2509		2.7461	3.3834	3.3834	2.0702
F4	1.3885	2.4321	2.7461		2.2689	2.2689	3.3966
F5	1.4049	2.3994	3.3834	2.2689		2.2646	2.7173
F6	1.4049	2.3994	3.3834	2.2689	2.2646		2.7173
H7	2.2173	1.0971	2.0702	3.3966	2.7173	2.7173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.329	C1	C2	H7	114.121
C2	C1	F4	112.803	C2	C1	F5	109.610
C2	C1	F6	109.610	O3	C2	H7	123.550
F4	C1	F5	108.628	F4	C1	F6	108.628
F5	C1	F6	107.411

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)