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	hartrees
Energy at 0K	-450.727481
Energy at 298.15K	-450.729932
HF Energy	-449.653531
Nuclear repulsion energy	252.145923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3057	2897	40.56
2	A'	1791	1697	52.83
3	A'	1438	1363	31.81
4	A'	1338	1269	145.71
5	A'	1228	1164	234.04
6	A'	857	812	38.35
7	A'	719	681	34.62
8	A'	539	511	16.87
9	A'	437	414	4.79
10	A'	261	247	5.65
11	A"	1201	1138	318.94
12	A"	980	929	13.57
13	A"	543	514	1.44
14	A"	318	302	0.70
15	A"	66	62	13.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.360	0.000
C2	0.503	-1.100	0.000
O3	-0.261	-2.033	0.000
F4	-1.301	0.458	0.000
F5	0.503	0.988	1.086
F6	0.503	0.988	-1.086
H7	1.598	-1.202	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5377	2.4101	1.3257	1.3438	1.3438	2.2195
C2	1.5377		1.2056	2.3837	2.3539	2.3539	1.1000
O3	2.4101	1.2056		2.7002	3.3002	3.3002	2.0362
F4	1.3257	2.3837	2.7002		2.1710	2.1710	3.3407
F5	1.3438	2.3539	3.3002	2.1710		2.1722	2.6787
F6	1.3438	2.3539	3.3002	2.1710	2.1722		2.6787
H7	2.2195	1.1000	2.0362	3.3407	2.6787	2.6787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.469	C1	C2	H7	113.549
C2	C1	F4	112.496	C2	C1	F5	109.364
C2	C1	F6	109.364	O3	C2	H7	123.983
F4	C1	F5	108.830	F4	C1	F6	108.830
F5	C1	F6	107.846

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)