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	hartrees
Energy at 0K	-450.691637
Energy at 298.15K	-450.694080
HF Energy	-449.511124
Nuclear repulsion energy	253.459045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3042	2873	42.93
2	A'	1813	1713	47.27
3	A'	1427	1348	38.31
4	A'	1368	1292	127.98
5	A'	1257	1187	176.25
6	A'	870	822	31.63
7	A'	718	679	33.28
8	A'	536	507	14.86
9	A'	439	414	3.58
10	A'	252	238	5.90
11	A"	1245	1176	255.71
12	A"	994	939	6.97
13	A"	539	509	1.50
14	A"	308	291	0.78
15	A"	74	70	11.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.363	0.000
C2	0.501	-1.090	0.000
O3	-0.261	-2.024	0.000
F4	-1.295	0.447	0.000
F5	0.501	0.984	1.079
F6	0.501	0.984	-1.079
H7	1.600	-1.188	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5309	2.4035	1.3180	1.3343	1.3343	2.2134
C2	1.5309		1.2048	2.3639	2.3384	2.3384	1.1032
O3	2.4035	1.2048		2.6782	3.2852	3.2852	2.0400
F4	1.3180	2.3639	2.6782		2.1626	2.1626	3.3243
F5	1.3343	2.3384	3.2852	2.1626		2.1579	2.6626
F6	1.3343	2.3384	3.2852	2.1626	2.1579		2.6626
H7	2.2134	1.1032	2.0400	3.3243	2.6626	2.6626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.489	C1	C2	H7	113.347
C2	C1	F4	111.928	C2	C1	F5	109.210
C2	C1	F6	109.210	O3	C2	H7	124.164
F4	C1	F5	109.241	F4	C1	F6	109.241
F5	C1	F6	107.924

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)