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	hartrees
Energy at 0K	-450.459805
Energy at 298.15K	-450.462176
HF Energy	-449.496431
Nuclear repulsion energy	250.557731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	2917	33.14
2	A'	1785	1679	52.96
3	A'	1427	1343	27.53
4	A'	1340	1261	128.90
5	A'	1213	1141	234.66
6	A'	849	799	44.87
7	A'	697	655	32.24
8	A'	521	490	17.58
9	A'	426	401	4.78
10	A'	256	241	5.76
11	A"	1185	1115	314.00
12	A"	981	922	14.78
13	A"	520	490	1.43
14	A"	315	296	1.17
15	A"	64	60	14.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.357	0.000
C2	0.508	-1.097	0.000
O3	-0.261	-2.040	0.000
F4	-1.313	0.458	0.000
F5	0.508	0.991	1.096
F6	0.508	0.991	-1.096
H7	1.602	-1.198	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5331	2.4128	1.3377	1.3572	1.3572	2.2177
C2	1.5331		1.2166	2.3945	2.3585	2.3585	1.0988
O3	2.4128	1.2166		2.7099	3.3135	3.3135	2.0445
F4	1.3377	2.3945	2.7099		2.1915	2.1915	3.3527
F5	1.3572	2.3585	3.3135	2.1915		2.1926	2.6819
F6	1.3572	2.3585	3.3135	2.1915	2.1926		2.6819
H7	2.2177	1.0988	2.0445	3.3527	2.6819	2.6819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.257	C1	C2	H7	113.815
C2	C1	F4	112.863	C2	C1	F5	109.223
C2	C1	F6	109.223	O3	C2	H7	123.928
F4	C1	F5	108.821	F4	C1	F6	108.821
F5	C1	F6	107.763

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/6-31+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: MP2/6-31+G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)