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	hartrees
Energy at 0K	-450.951625
Energy at 298.15K	-450.954121
HF Energy	-449.658180
Nuclear repulsion energy	253.371795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3026	2891	42.32
2	A'	1862	1779	69.29
3	A'	1434	1370	46.62
4	A'	1369	1308	145.55
5	A'	1259	1203	197.73
6	A'	870	831	34.16
7	A'	725	692	37.01
8	A'	542	518	16.36
9	A'	442	423	3.90
10	A'	258	247	6.01
11	A"	1247	1192	289.38
12	A"	1000	956	8.68
13	A"	545	521	1.72
14	A"	321	306	0.92
15	A"	73	70	13.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.361	0.000
C2	0.500	-1.096	0.000
O3	-0.254	-2.027	0.000
F4	-1.297	0.458	0.000
F5	0.500	0.983	1.079
F6	0.500	0.983	-1.079
H7	1.595	-1.194	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5350	2.4036	1.3187	1.3353	1.3353	2.2147
C2	1.5350		1.1975	2.3750	2.3428	2.3428	1.0999
O3	2.4036	1.1975		2.6940	3.2852	3.2852	2.0282
F4	1.3187	2.3750	2.6940		2.1605	2.1605	3.3301
F5	1.3353	2.3428	3.2852	2.1605		2.1586	2.6655
F6	1.3353	2.3428	3.2852	2.1605	2.1586		2.6655
H7	2.2147	1.0999	2.0282	3.3301	2.6655	2.6655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.715	C1	C2	H7	113.363
C2	C1	F4	112.446	C2	C1	F5	109.223
C2	C1	F6	109.223	O3	C2	H7	123.922
F4	C1	F5	108.993	F4	C1	F6	108.993
F5	C1	F6	107.855

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)