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	hartrees
Energy at 0K	-450.054323
Energy at 298.15K	-450.056377
HF Energy	-449.400391
Nuclear repulsion energy	241.495447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3100	2993	30.55
2	A'	1577	1523	29.47
3	A'	1398	1350	18.55
4	A'	1219	1176	81.28
5	A'	1079	1042	215.39
6	A'	765	739	66.99
7	A'	630	608	21.91
8	A'	468	452	24.73
9	A'	390	377	8.09
10	A'	237	229	6.54
11	A"	1066	1029	241.80
12	A"	919	887	47.85
13	A"	465	449	2.40
14	A"	288	278	1.21
15	A"	60	58	19.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.346	0.000
C2	0.527	-1.128	0.000
O3	-0.257	-2.109	0.000
F4	-1.372	0.476	0.000
F5	0.527	1.027	1.142
F6	0.527	1.027	-1.142
H7	1.627	-1.208	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5576	2.4707	1.4018	1.4219	1.4219	2.2331
C2	1.5576		1.2557	2.4863	2.4393	2.4393	1.1031
O3	2.4707	1.2557		2.8154	3.4286	3.4286	2.0887
F4	1.4018	2.4863	2.8154		2.2836	2.2836	3.4400
F5	1.4219	2.4393	3.4286	2.2836		2.2835	2.7406
F6	1.4219	2.4393	3.4286	2.2836	2.2835		2.7406
H7	2.2331	1.1031	2.0887	3.4400	2.7406	2.7406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.490	C1	C2	H7	113.015
C2	C1	F4	114.202	C2	C1	F5	109.821
C2	C1	F6	109.821	O3	C2	H7	124.496
F4	C1	F5	107.943	F4	C1	F6	107.943
F5	C1	F6	106.831

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)