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	hartrees
Energy at 0K	-450.700902
Energy at 298.15K	-450.703404
HF Energy	-449.512909
Nuclear repulsion energy	254.337593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3052	2891	36.50
2	A'	1905	1804	57.87
3	A'	1449	1372	53.37
4	A'	1395	1321	134.56
5	A'	1288	1220	171.57
6	A'	883	837	30.17
7	A'	731	692	37.85
8	A'	545	517	15.95
9	A'	447	424	3.64
10	A'	256	243	6.15
11	A"	1289	1221	260.73
12	A"	1009	956	5.31
13	A"	548	519	1.98
14	A"	316	299	0.86
15	A"	76	72	12.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.363	0.000
C2	0.499	-1.093	0.000
O3	-0.260	-2.016	0.000
F4	-1.290	0.449	0.000
F5	0.499	0.982	1.074
F6	0.499	0.982	-1.074
H7	1.596	-1.196	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5329	2.3959	1.3135	1.3284	1.3284	2.2164
C2	1.5329		1.1946	2.3619	2.3365	2.3365	1.1021
O3	2.3959	1.1946		2.6720	3.2736	3.2736	2.0291
F4	1.3135	2.3619	2.6720		2.1533	2.1533	3.3220
F5	1.3284	2.3365	3.2736	2.1533		2.1481	2.6646
F6	1.3284	2.3365	3.2736	2.1533	2.1481		2.6646
H7	2.2164	1.1021	2.0291	3.3220	2.6646	2.6646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.414	C1	C2	H7	113.511
C2	C1	F4	111.926	C2	C1	F5	109.280
C2	C1	F6	109.280	O3	C2	H7	124.075
F4	C1	F5	109.183	F4	C1	F6	109.183
F5	C1	F6	107.902

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)