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	hartrees
Energy at 0K	-450.444992
Energy at 298.15K	-450.447408
HF Energy	-449.481748
Nuclear repulsion energy	251.720187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3095	2892	47.34
2	A'	1809	1690	40.31
3	A'	1443	1348	31.09
4	A'	1373	1283	135.53
5	A'	1260	1177	204.03
6	A'	867	810	40.52
7	A'	708	661	33.19
8	A'	530	495	16.41
9	A'	434	406	4.31
10	A'	259	242	6.25
11	A"	1245	1163	281.13
12	A"	996	930	8.52
13	A"	529	494	1.82
14	A"	315	294	0.80
15	A"	66	62	11.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.358	0.000
C2	0.506	-1.089	0.000
O3	-0.265	-2.027	0.000
F4	-1.307	0.445	0.000
F5	0.506	0.988	1.091
F6	0.506	0.988	-1.091
H7	1.600	-1.191	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5252	2.4026	1.3334	1.3494	1.3494	2.2102
C2	1.5252		1.2148	2.3746	2.3462	2.3462	1.0985
O3	2.4026	1.2148		2.6822	3.2983	3.2983	2.0440
F4	1.3334	2.3746	2.6822		2.1851	2.1851	3.3355
F5	1.3494	2.3462	3.2983	2.1851		2.1825	2.6715
F6	1.3494	2.3462	3.2983	2.1851	2.1825		2.6715
H7	2.2102	1.0985	2.0440	3.3355	2.6715	2.6715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.127	C1	C2	H7	113.800
C2	C1	F4	112.165	C2	C1	F5	109.258
C2	C1	F6	109.258	O3	C2	H7	124.073
F4	C1	F5	109.066	F4	C1	F6	109.066
F5	C1	F6	107.933

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)