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	hartrees
Energy at 0K	-450.777698
Energy at 298.15K	-450.780161
HF Energy	-449.600513
Nuclear repulsion energy	252.571702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3042	2881	51.91
2	A'	1808	1712	50.28
3	A'	1431	1355	36.77
4	A'	1355	1284	154.92
5	A'	1242	1177	223.81
6	A'	863	817	40.82
7	A'	718	680	34.93
8	A'	539	511	16.77
9	A'	440	417	4.63
10	A'	260	246	5.99
11	A"	1223	1158	310.67
12	A"	989	937	10.89
13	A"	541	512	1.59
14	A"	322	305	0.83
15	A"	74	70	12.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.361	0.000
C2	0.502	-1.093	0.000
O3	-0.257	-2.029	0.000
F4	-1.301	0.453	0.000
F5	0.502	0.986	1.085
F6	0.502	0.986	-1.085
H7	1.601	-1.196	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5320	2.4058	1.3245	1.3414	1.3414	2.2188
C2	1.5320		1.2049	2.3757	2.3451	2.3451	1.1040
O3	2.4058	1.2049		2.6928	3.2927	3.2927	2.0367
F4	1.3245	2.3757	2.6928		2.1707	2.1707	3.3382
F5	1.3414	2.3451	3.2927	2.1707		2.1693	2.6728
F6	1.3414	2.3451	3.2927	2.1707	2.1693		2.6728
H7	2.2188	1.1040	2.0367	3.3382	2.6728	2.6728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.602	C1	C2	H7	113.659
C2	C1	F4	112.341	C2	C1	F5	109.221
C2	C1	F6	109.221	O3	C2	H7	123.740
F4	C1	F5	109.021	F4	C1	F6	109.021
F5	C1	F6	107.914

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

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

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)