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	hartrees
Energy at 0K	-447.678725
Energy at 298.15K	-447.681002
HF Energy	-447.016560
Nuclear repulsion energy	247.285013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	2930	45.21
2	A'	1632	1553	13.18
3	A'	1462	1391	33.18
4	A'	1312	1248	121.79
5	A'	1243	1182	160.36
6	A'	828	788	31.91
7	A'	683	650	28.27
8	A'	503	479	20.58
9	A'	422	401	5.86
10	A'	237	225	6.53
11	A"	1266	1204	230.91
12	A"	1025	975	4.11
13	A"	513	488	4.55
14	A"	284	270	0.18
15	A"	63	60	11.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.360	0.000
C2	0.514	-1.087	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		1.5276	2.4437	1.3662	1.3783	1.3783	2.1861
C2	1.5276		1.2438	2.3953	2.3737	2.3737	1.0949
O3	2.4437	1.2438		2.7251	3.3614	3.3614	2.0730
F4	1.3662	2.3953	2.7251		2.2394	2.2394	3.3428
F5	1.3783	2.3737	3.3614	2.2394		2.2234	2.6619
F6	1.3783	2.3737	3.3614	2.2394	2.2234		2.6619
H7	2.1861	1.0949	2.0730	3.3428	2.6619	2.6619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.389	C1	C2	H7	111.881
C2	C1	F4	111.613	C2	C1	F5	109.437
C2	C1	F6	109.437	O3	C2	H7	124.730
F4	C1	F5	109.367	F4	C1	F6	109.367
F5	C1	F6	107.530

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)