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	hartrees
Energy at 0K	-450.473447
Energy at 298.15K	-450.475905
HF Energy	-449.499846
Nuclear repulsion energy	252.167458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	2916	27.53
2	A'	1907	1776	66.56
3	A'	1456	1356	39.12
4	A'	1374	1280	141.48
5	A'	1261	1174	221.28
6	A'	869	810	41.33
7	A'	714	665	37.89
8	A'	534	498	18.74
9	A'	439	409	4.81
10	A'	263	245	6.20
11	A"	1244	1159	312.08
12	A"	1000	932	8.43
13	A"	534	497	2.14
14	A"	324	302	1.27
15	A"	69	64	15.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.362	0.000
C2	0.502	-1.100	0.000
O3	-0.256	-2.031	0.000
F4	-1.304	0.456	0.000
F5	0.502	0.987	1.089
F6	0.502	0.987	-1.089
H7	1.596	-1.202	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5392	2.4085	1.3277	1.3447	1.3447	2.2200
C2	1.5392		1.2005	2.3838	2.3539	2.3539	1.0987
O3	2.4085	1.2005		2.6983	3.2966	3.2966	2.0291
F4	1.3277	2.3838	2.6983		2.1749	2.1749	3.3405
F5	1.3447	2.3539	3.2966	2.1749		2.1771	2.6783
F6	1.3447	2.3539	3.2966	2.1749	2.1771		2.6783
H7	2.2200	1.0987	2.0291	3.3405	2.6783	2.6783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.596	C1	C2	H7	113.567
C2	C1	F4	112.293	C2	C1	F5	109.233
C2	C1	F6	109.233	O3	C2	H7	123.837
F4	C1	F5	108.945	F4	C1	F6	108.945
F5	C1	F6	108.101

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)