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	hartrees
Energy at 0K	-447.689451
Energy at 298.15K	-447.691730
HF Energy	-447.016612
Nuclear repulsion energy	247.316015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3081	2921	45.08
2	A'	1633	1548	13.15
3	A'	1462	1386	33.20
4	A'	1312	1244	121.80
5	A'	1243	1179	160.22
6	A'	828	785	31.83
7	A'	684	648	28.30
8	A'	503	477	20.57
9	A'	422	400	5.86
10	A'	237	224	6.53
11	A"	1266	1201	230.87
12	A"	1025	972	4.08
13	A"	513	487	4.55
14	A"	284	269	0.18
15	A"	63	60	11.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.360	0.000
C2	0.514	-1.086	0.000
O3	-0.250	-2.068	0.000
F4	-1.341	0.429	0.000
F5	0.514	1.011	1.112
F6	0.514	1.011	-1.112
H7	1.607	-1.147	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5274	2.4434	1.3660	1.3781	1.3781	2.1860
C2	1.5274		1.2437	2.3949	2.3734	2.3734	1.0948
O3	2.4434	1.2437		2.7246	3.3610	3.3610	2.0727
F4	1.3660	2.3949	2.7246		2.2391	2.2391	3.3424
F5	1.3781	2.3734	3.3610	2.2391		2.2232	2.6619
F6	1.3781	2.3734	3.3610	2.2391	2.2232		2.6619
H7	2.1860	1.0948	2.0727	3.3424	2.6619	2.6619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.384	C1	C2	H7	111.896
C2	C1	F4	111.607	C2	C1	F5	109.440
C2	C1	F6	109.440	O3	C2	H7	124.720
F4	C1	F5	109.366	F4	C1	F6	109.366
F5	C1	F6	107.532

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)