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	hartrees
Energy at 0K	-450.521780
Energy at 298.15K	-450.524235
HF Energy	-449.507297
Nuclear repulsion energy	251.823868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3018	2895	57.06
2	A'	1858	1782	67.33
3	A'	1420	1362	46.44
4	A'	1365	1310	164.39
5	A'	1256	1205	211.52
6	A'	858	824	38.96
7	A'	714	685	36.07
8	A'	537	516	17.55
9	A'	439	421	4.40
10	A'	254	244	6.12
11	A"	1250	1199	309.14
12	A"	985	945	8.56
13	A"	539	517	2.37
14	A"	315	303	0.50
15	A"	73	70	11.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.362	0.000
C2	0.503	-1.099	0.000
O3	-0.258	-2.035	0.000
F4	-1.305	0.454	0.000
F5	0.503	0.990	1.086
F6	0.503	0.990	-1.086
H7	1.615	-1.195	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5387	2.4132	1.3292	1.3444	1.3444	2.2279
C2	1.5387		1.2065	2.3836	2.3549	2.3549	1.1159
O3	2.4132	1.2065		2.7000	3.3033	3.3033	2.0532
F4	1.3292	2.3836	2.7000		2.1766	2.1766	3.3531
F5	1.3444	2.3549	3.3033	2.1766		2.1728	2.6812
F6	1.3444	2.3549	3.3033	2.1766	2.1728		2.6812
H7	2.2279	1.1159	2.0532	3.3531	2.6812	2.6812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.601	C1	C2	H7	113.165
C2	C1	F4	112.224	C2	C1	F5	109.346
C2	C1	F6	109.346	O3	C2	H7	124.235
F4	C1	F5	109.000	F4	C1	F6	109.000
F5	C1	F6	107.822

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)