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	hartrees
Energy at 0K	-449.992841
Energy at 298.15K	-449.995061
HF Energy	-449.302387
Nuclear repulsion energy	244.769879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3065	2953	25.69
2	A'	1693	1632	28.08
3	A'	1419	1368	30.31
4	A'	1287	1240	90.08
5	A'	1201	1158	180.66
6	A'	813	783	50.75
7	A'	659	635	29.36
8	A'	492	474	23.76
9	A'	412	397	7.09
10	A'	256	247	6.61
11	A"	1189	1146	239.74
12	A"	963	928	6.49
13	A"	487	469	4.22
14	A"	302	291	1.05
15	A"	47	46	16.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.026	0.350	0.000
C2	0.521	-1.103	0.000
O3	-0.259	-2.069	0.000
F4	-1.357	0.445	0.000
F5	0.521	1.015	1.130
F6	0.521	1.015	-1.130
H7	1.618	-1.204	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5345	2.4356	1.3866	1.4015	1.4015	2.2239
C2	1.5345		1.2423	2.4340	2.4002	2.4002	1.1008
O3	2.4356	1.2423		2.7436	3.3759	3.3759	2.0667
F4	1.3866	2.4340	2.7436		2.2647	2.2647	3.4011
F5	1.4015	2.4002	3.3759	2.2647		2.2598	2.7205
F6	1.4015	2.4002	3.3759	2.2647	2.2598		2.7205
H7	2.2239	1.1008	2.0667	3.4011	2.7205	2.7205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.247	C1	C2	H7	114.091
C2	C1	F4	112.775	C2	C1	F5	109.589
C2	C1	F6	109.589	O3	C2	H7	123.662
F4	C1	F5	108.642	F4	C1	F6	108.642
F5	C1	F6	107.456

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)