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	hartrees
Energy at 0K	-451.024448
Energy at 298.15K	-451.026937
HF Energy	-449.657763
Nuclear repulsion energy	253.551286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3051	2897	43.28
2	A'	1814	1722	52.52
3	A'	1435	1362	33.41
4	A'	1360	1291	138.64
5	A'	1242	1180	207.79
6	A'	868	824	35.22
7	A'	722	685	33.62
8	A'	540	513	15.37
9	A'	441	419	4.00
10	A'	257	244	5.77
11	A"	1221	1159	285.65
12	A"	1006	955	13.00
13	A"	543	515	1.32
14	A"	320	304	0.89
15	A"	76	72	12.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.359	0.000
C2	0.500	-1.087	0.000
O3	-0.251	-2.024	0.000
F4	-1.298	0.453	0.000
F5	0.500	0.981	1.081
F6	0.500	0.981	-1.081
H7	1.590	-1.178	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5243	2.3988	1.3188	1.3367	1.3367	2.1994
C2	1.5243		1.2011	2.3666	2.3332	2.3332	1.0944
O3	2.3988	1.2011		2.6890	3.2808	3.2808	2.0264
F4	1.3188	2.3666	2.6890		2.1629	2.1629	3.3167
F5	1.3367	2.3332	3.2808	2.1629		2.1616	2.6496
F6	1.3367	2.3332	3.2808	2.1629	2.1616		2.6496
H7	2.1994	1.0944	2.0264	3.3167	2.6496	2.6496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.877	C1	C2	H7	113.231
C2	C1	F4	112.490	C2	C1	F5	109.099
C2	C1	F6	109.099	O3	C2	H7	123.892
F4	C1	F5	109.071	F4	C1	F6	109.071
F5	C1	F6	107.905

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)