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	hartrees
Energy at 0K	-450.947393
Energy at 298.15K	-450.949904
HF Energy	-449.658524
Nuclear repulsion energy	253.618250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3033	2855	39.73
2	A'	1875	1765	66.63
3	A'	1439	1354	48.15
4	A'	1375	1294	148.45
5	A'	1266	1191	198.02
6	A'	874	823	33.50
7	A'	728	685	37.84
8	A'	545	513	16.45
9	A'	444	418	3.93
10	A'	259	244	6.02
11	A"	1255	1181	291.73
12	A"	1003	944	7.91
13	A"	548	515	1.77
14	A"	322	303	0.95
15	A"	74	70	13.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.361	0.000
C2	0.499	-1.096	0.000
O3	-0.254	-2.024	0.000
F4	-1.295	0.457	0.000
F5	0.499	0.982	1.078
F6	0.499	0.982	-1.078
H7	1.594	-1.195	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5341	2.4008	1.3174	1.3339	1.3339	2.2143
C2	1.5341		1.1959	2.3731	2.3409	2.3409	1.0993
O3	2.4008	1.1959		2.6906	3.2815	3.2815	2.0262
F4	1.3174	2.3731	2.6906		2.1586	2.1586	3.3283
F5	1.3339	2.3409	3.2815	2.1586		2.1564	2.6646
F6	1.3339	2.3409	3.2815	2.1586	2.1564		2.6646
H7	2.2143	1.0993	2.0262	3.3283	2.6646	2.6646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.664	C1	C2	H7	113.434
C2	C1	F4	112.434	C2	C1	F5	109.220
C2	C1	F6	109.220	O3	C2	H7	123.902
F4	C1	F5	109.000	F4	C1	F6	109.000
F5	C1	F6	107.860

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)