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	hartrees
Energy at 0K	-450.457085
Energy at 298.15K	-450.459458
HF Energy	-449.479516
Nuclear repulsion energy	251.339860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3028	2913
2	A'	1822	1753
3	A'	1426	1372
4	A'	1367	1316
5	A'	1258	1210
6	A'	860	828
7	A'	703	677
8	A'	527	507
9	A'	432	416
10	A'	257	247
11	A"	1249	1202
12	A"	972	935
13	A"	526	506
14	A"	313	301
15	A"	61	59

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	0.359	0.000
C2	0.507	-1.094	0.000
O3	-0.268	-2.028	0.000
F4	-1.308	0.447	0.000
F5	0.507	0.990	1.092
F6	0.507	0.990	-1.092
H7	1.608	-1.205	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5311	2.4052	1.3352	1.3507	1.3507	2.2258
C2	1.5311		1.2143	2.3809	2.3529	2.3529	1.1065
O3	2.4052	1.2143		2.6846	3.3024	3.3024	2.0491
F4	1.3352	2.3809	2.6846		2.1870	2.1870	3.3514
F5	1.3507	2.3529	3.3024	2.1870		2.1844	2.6876
F6	1.3507	2.3529	3.3024	2.1870	2.1844		2.6876
H7	2.2258	1.1065	2.0491	3.3514	2.6876	2.6876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	121.926	C1	C2	H7	114.144
C2	C1	F4	112.152	C2	C1	F5	109.310
C2	C1	F6	109.310	O3	C2	H7	123.930
F4	C1	F5	109.026	F4	C1	F6	109.026
F5	C1	F6	107.923

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)