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	hartrees
Energy at 0K	-450.942511
Energy at 298.15K	-450.944968
HF Energy	-449.656854
Nuclear repulsion energy	252.799578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3036	2882	43.61
2	A'	1800	1709	52.41
3	A'	1422	1350	34.32
4	A'	1351	1283	140.61
5	A'	1235	1172	206.41
6	A'	862	818	35.28
7	A'	717	680	33.79
8	A'	536	509	15.36
9	A'	437	415	3.96
10	A'	255	242	5.71
11	A"	1214	1152	288.12
12	A"	990	940	10.91
13	A"	539	512	1.30
14	A"	315	299	0.87
15	A"	73	69	12.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.361	0.000
C2	0.501	-1.093	0.000
O3	-0.255	-2.031	0.000
F4	-1.300	0.456	0.000
F5	0.501	0.985	1.083
F6	0.501	0.985	-1.083
H7	1.597	-1.189	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5323	2.4073	1.3218	1.3397	1.3397	2.2118
C2	1.5323		1.2044	2.3759	2.3435	2.3435	1.0997
O3	2.4073	1.2044		2.6975	3.2922	3.2922	2.0342
F4	1.3218	2.3759	2.6975		2.1670	2.1670	3.3310
F5	1.3397	2.3435	3.2922	2.1670		2.1655	2.6640
F6	1.3397	2.3435	3.2922	2.1670	2.1655		2.6640
H7	2.2118	1.0997	2.0342	3.3310	2.6640	2.6640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.746	C1	C2	H7	113.330
C2	C1	F4	112.493	C2	C1	F5	109.182
C2	C1	F6	109.182	O3	C2	H7	123.924
F4	C1	F5	109.016	F4	C1	F6	109.016
F5	C1	F6	107.842

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)