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	hartrees
Energy at 0K	-450.272915
Energy at 298.15K	-450.275474
HF Energy	-449.484223
Nuclear repulsion energy	254.308366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	2934	38.26
2	A'	1992	1840	80.80
3	A'	1499	1384	56.95
4	A'	1444	1334	157.80
5	A'	1330	1229	207.89
6	A'	909	839	42.81
7	A'	743	686	43.33
8	A'	555	513	19.35
9	A'	457	422	4.54
10	A'	272	251	7.37
11	A"	1327	1226	305.25
12	A"	1051	971	9.21
13	A"	554	512	2.75
14	A"	331	306	1.06
15	A"	74	68	15.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.357	0.000
C2	0.500	-1.088	0.000
O3	-0.260	-2.007	0.000
F4	-1.294	0.447	0.000
F5	0.500	0.979	1.078
F6	0.500	0.979	-1.078
H7	1.590	-1.198	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5221	2.3799	1.3185	1.3337	1.3337	2.2081
C2	1.5221		1.1923	2.3616	2.3312	2.3312	1.0951
O3	2.3799	1.1923		2.6628	3.2638	3.2638	2.0191
F4	1.3185	2.3616	2.6628		2.1596	2.1596	3.3200
F5	1.3337	2.3312	3.2638	2.1596		2.1565	2.6619
F6	1.3337	2.3312	3.2638	2.1596	2.1565		2.6619
H7	2.2081	1.0951	2.0191	3.3200	2.6619	2.6619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.042	C1	C2	H7	114.070
C2	C1	F4	112.282	C2	C1	F5	109.254
C2	C1	F6	109.254	O3	C2	H7	123.888
F4	C1	F5	109.030	F4	C1	F6	109.030
F5	C1	F6	107.890

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)