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	hartrees
Energy at 0K	-450.672483
Energy at 298.15K	-450.674953
HF Energy	-449.602081
Nuclear repulsion energy	252.404708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3035	2884	53.47
2	A'	1804	1714	50.98
3	A'	1428	1357	33.42
4	A'	1352	1284	156.21
5	A'	1240	1178	226.26
6	A'	860	817	39.86
7	A'	716	680	35.01
8	A'	538	511	16.64
9	A'	439	417	4.57
10	A'	259	246	5.93
11	A"	1222	1161	307.43
12	A"	993	943	12.99
13	A"	540	513	1.69
14	A"	321	305	0.66
15	A"	74	70	11.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.361	0.000
C2	0.502	-1.095	0.000
O3	-0.258	-2.030	0.000
F4	-1.302	0.453	0.000
F5	0.502	0.986	1.085
F6	0.502	0.986	-1.085
H7	1.603	-1.191	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5341	2.4075	1.3254	1.3422	1.3422	2.2164
C2	1.5341		1.2052	2.3778	2.3477	2.3477	1.1044
O3	2.4075	1.2052		2.6940	3.2949	3.2949	2.0414
F4	1.3254	2.3778	2.6940		2.1721	2.1721	3.3377
F5	1.3422	2.3477	3.2949	2.1721		2.1707	2.6700
F6	1.3422	2.3477	3.2949	2.1721	2.1707		2.6700
H7	2.2164	1.1044	2.0414	3.3377	2.6700	2.6700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.554	C1	C2	H7	113.281
C2	C1	F4	112.310	C2	C1	F5	109.232
C2	C1	F6	109.232	O3	C2	H7	124.165
F4	C1	F5	109.021	F4	C1	F6	109.021
F5	C1	F6	107.925

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/6-311G**

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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All results from a given calculation for CF3CHO (trifluoroacetaldehyde)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)