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	hartrees
Energy at 0K	-450.543209
Energy at 298.15K	-450.545631
HF Energy	-449.506330
Nuclear repulsion energy	251.376853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2995	2932
2	A'	1823	1785
3	A'	1408	1378
4	A'	1351	1322
5	A'	1241	1215
6	A'	850	832
7	A'	708	693
8	A'	533	521
9	A'	435	426
10	A'	251	246
11	A"	1233	1207
12	A"	970	949
13	A"	534	523
14	A"	311	305
15	A"	72	70

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.362	0.000
C2	0.504	-1.100	0.000
O3	-0.260	-2.039	0.000
F4	-1.307	0.454	0.000
F5	0.504	0.991	1.089
F6	0.504	0.991	-1.089
H7	1.618	-1.196	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5399	2.4172	1.3314	1.3470	1.3470	2.2310
C2	1.5399		1.2104	2.3863	2.3576	2.3576	1.1176
O3	2.4172	1.2104		2.7032	3.3090	3.3090	2.0581
F4	1.3314	2.3863	2.7032		2.1809	2.1809	3.3580
F5	1.3470	2.3576	3.3090	2.1809		2.1772	2.6849
F6	1.3470	2.3576	3.3090	2.1809	2.1772		2.6849
H7	2.2310	1.1176	2.0581	3.3580	2.6849	2.6849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.564	C1	C2	H7	113.214
C2	C1	F4	112.219	C2	C1	F5	109.321
C2	C1	F6	109.321	O3	C2	H7	124.222
F4	C1	F5	109.025	F4	C1	F6	109.025
F5	C1	F6	107.831

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CCSD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)