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	hartrees
Energy at 0K	-443.541494
Energy at 298.15K	-443.543286
HF Energy	-443.313379
Nuclear repulsion energy	241.463313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	2943	21.36
2	A'	1725	1534	13.42
3	A'	1480	1316	43.07
4	A'	1379	1225	41.89
5	A'	1239	1101	67.89
6	A'	843	750	4.75
7	A'	664	590	25.86
8	A'	485	431	11.34
9	A'	400	356	3.14
10	A'	204	181	1.99
11	A"	1370	1218	94.17
12	A"	906	806	0.61
13	A"	480	427	3.44
14	A"	286	254	0.37
15	A"	34	30	4.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	0.385	0.000
C2	0.522	-1.163	0.000
O3	-0.278	-2.137	0.000
F4	-1.350	0.470	0.000
F5	0.522	1.045	1.127
F6	0.522	1.045	-1.127
H7	1.639	-1.273	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.6217	2.5414	1.3897	1.3931	1.3931	2.3060
C2	1.6217		1.2606	2.4842	2.4787	2.4787	1.1232
O3	2.5414	1.2606		2.8193	3.4693	3.4693	2.1032
F4	1.3897	2.4842	2.8193		2.2594	2.2594	3.4610
F5	1.3931	2.4787	3.4693	2.2594		2.2533	2.8094
F6	1.3931	2.4787	3.4693	2.2594	2.2533		2.8094
H7	2.3060	1.1232	2.1032	3.4610	2.8094	2.8094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.216	C1	C2	H7	113.042
C2	C1	F4	110.931	C2	C1	F5	110.374
C2	C1	F6	110.374	O3	C2	H7	123.741
F4	C1	F5	108.567	F4	C1	F6	108.567
F5	C1	F6	107.944

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)