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	hartrees
Energy at 0K	-450.477763
Energy at 298.15K	-450.480157
HF Energy	-449.497747
Nuclear repulsion energy	250.926303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	2921	34.17
2	A'	1842	1742	70.71
3	A'	1435	1356	35.14
4	A'	1351	1277	131.85
5	A'	1234	1166	224.37
6	A'	853	806	43.62
7	A'	701	663	34.89
8	A'	525	496	18.40
9	A'	430	407	4.77
10	A'	258	244	6.00
11	A"	1212	1146	311.33
12	A"	984	930	10.93
13	A"	524	496	1.90
14	A"	318	300	1.16
15	A"	64	61	15.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.357	0.000
C2	0.507	-1.101	0.000
O3	-0.259	-2.038	0.000
F4	-1.312	0.460	0.000
F5	0.507	0.990	1.093
F6	0.507	0.990	-1.093
H7	1.601	-1.202	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5365	2.4109	1.3359	1.3539	1.3539	2.2201
C2	1.5365		1.2103	2.3961	2.3594	2.3594	1.0990
O3	2.4109	1.2103		2.7102	3.3090	3.3090	2.0394
F4	1.3359	2.3961	2.7102		2.1869	2.1869	3.3534
F5	1.3539	2.3594	3.3090	2.1869		2.1868	2.6831
F6	1.3539	2.3594	3.3090	2.1869	2.1868		2.6831
H7	2.2201	1.0990	2.0394	3.3534	2.6831	2.6831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.284	C1	C2	H7	113.748
C2	C1	F4	112.872	C2	C1	F5	109.268
C2	C1	F6	109.268	O3	C2	H7	123.968
F4	C1	F5	108.785	F4	C1	F6	108.785
F5	C1	F6	107.730

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)