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	hartrees
Energy at 0K	-450.724372
Energy at 298.15K	-450.726785
HF Energy	-449.600541
Nuclear repulsion energy	251.489178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2984	2893
2	A'	1773	1720
3	A'	1407	1364
4	A'	1330	1290
5	A'	1223	1186
6	A'	843	818
7	A'	704	683
8	A'	529	513
9	A'	431	418
10	A'	253	245
11	A"	1207	1170
12	A"	974	945
13	A"	531	515
14	A"	315	305
15	A"	72	69

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.363	0.000
C2	0.504	-1.100	0.000
O3	-0.258	-2.039	0.000
F4	-1.306	0.455	0.000
F5	0.504	0.991	1.089
F6	0.504	0.991	-1.089
H7	1.609	-1.193	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5416	2.4189	1.3296	1.3464	1.3464	2.2238
C2	1.5416		1.2093	2.3868	2.3574	2.3574	1.1086
O3	2.4189	1.2093		2.7062	3.3086	3.3086	2.0496
F4	1.3296	2.3868	2.7062		2.1791	2.1791	3.3487
F5	1.3464	2.3574	3.3086	2.1791		2.1776	2.6783
F6	1.3464	2.3574	3.3086	2.1791	2.1776		2.6783
H7	2.2238	1.1086	2.0496	3.3487	2.6783	2.6783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.663	C1	C2	H7	113.075
C2	C1	F4	112.259	C2	C1	F5	109.241
C2	C1	F6	109.241	O3	C2	H7	124.261
F4	C1	F5	109.034	F4	C1	F6	109.034
F5	C1	F6	107.935

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)