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	hartrees
Energy at 0K	-451.624175
Energy at 298.15K	-451.626391
HF Energy	-451.624175
Nuclear repulsion energy	248.574526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2840	2829	74.68
2	A'	1771	1764	97.06
3	A'	1359	1354	22.78
4	A'	1217	1213	132.73
5	A'	1109	1105	208.58
6	A'	788	785	46.40
7	A'	668	665	29.75
8	A'	494	492	13.99
9	A'	403	401	4.58
10	A'	240	239	5.36
11	A"	1088	1084	252.75
12	A"	931	927	41.97
13	A"	498	496	0.39
14	A"	291	290	0.72
15	A"	75	74	10.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.362	0.000
C2	0.508	-1.116	0.000
O3	-0.243	-2.058	0.000
F4	-1.329	0.463	0.000
F5	0.508	1.001	1.105
F6	0.508	1.001	-1.105
H7	1.621	-1.195	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5577	2.4340	1.3480	1.3684	1.3684	2.2370
C2	1.5577		1.2056	2.4226	2.3877	2.3877	1.1156
O3	2.4340	1.2056		2.7453	3.3383	3.3383	2.0543
F4	1.3480	2.4226	2.7453		2.2104	2.2104	3.3844
F5	1.3684	2.3877	3.3383	2.2104		2.2101	2.6987
F6	1.3684	2.3877	3.3383	2.2104	2.2101		2.6987
H7	2.2370	1.1156	2.0543	3.3844	2.6987	2.6987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.977	C1	C2	H7	112.553
C2	C1	F4	112.765	C2	C1	F5	109.197
C2	C1	F6	109.197	O3	C2	H7	124.470
F4	C1	F5	108.920	F4	C1	F6	108.920
F5	C1	F6	107.716

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: BLYP/6-311G**

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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Number	Element	Mulliken
1	C	0.541
2	C	0.079
3	O	-0.197
4	F	-0.158
5	F	-0.183
6	F	-0.183
7	H	0.100

	x	y	z	Total
	1.497	0.094	0.000	1.500
CHELPG
AIM
ESP

	x	y	z
x	4.089	0.348	0.000
y	0.348	4.303	0.000
z	0.000	0.000	2.983

<r²>	131.134
(<r²>)^1/2	11.451

All results from a given calculation for CF3CHO (trifluoroacetaldehyde)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)