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	hartrees
Energy at 0K	-449.527444
Energy at 298.15K	-449.529789
HF Energy	-449.527444
Nuclear repulsion energy	253.732974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2843	2814	59.41
2	A'	1851	1832	96.20
3	A'	1348	1334	44.10
4	A'	1304	1290	157.24
5	A'	1189	1177	171.02
6	A'	845	836	33.36
7	A'	699	692	34.48
8	A'	517	511	15.83
9	A'	423	418	4.17
10	A'	240	237	6.33
11	A"	1172	1160	289.86
12	A"	952	942	9.33
13	A"	520	514	1.09
14	A"	290	287	0.93
15	A"	83	82	10.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.358	0.000
C2	0.500	-1.087	0.000
O3	-0.255	-2.012	0.000
F4	-1.298	0.443	0.000
F5	0.500	0.981	1.082
F6	0.500	0.981	-1.082
H7	1.617	-1.178	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5233	2.3856	1.3189	1.3376	1.3376	2.2174
C2	1.5233		1.1941	2.3611	2.3334	2.3334	1.1206
O3	2.3856	1.1941		2.6673	3.2703	3.2703	2.0494
F4	1.3189	2.3611	2.6673		2.1659	2.1659	3.3356
F5	1.3376	2.3334	3.2703	2.1659		2.1630	2.6605
F6	1.3376	2.3334	3.2703	2.1659	2.1630		2.6605
H7	2.2174	1.1206	2.0494	3.3356	2.6605	2.6605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.317	C1	C2	H7	113.114
C2	C1	F4	112.145	C2	C1	F5	109.119
C2	C1	F6	109.119	O3	C2	H7	124.569
F4	C1	F5	109.230	F4	C1	F6	109.230
F5	C1	F6	107.903

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: SVWN/6-311G**

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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Number	Element	Mulliken
1	C	0.461
2	C	0.028
3	O	-0.193
4	F	-0.129
5	F	-0.152
6	F	-0.152
7	H	0.137

	x	y	z	Total
	1.518	0.238	0.000	1.536
CHELPG
AIM
ESP

	x	y	z
x	4.019	0.350	0.000
y	0.350	4.149	0.000
z	0.000	0.000	2.908

<r²>	126.368
(<r²>)^1/2	11.241

All results from a given calculation for CF3CHO (trifluoroacetaldehyde)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)