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	hartrees
Energy at 0K	-450.499632
Energy at 298.15K	-450.502254
HF Energy	-449.604315
Nuclear repulsion energy	255.402546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	2925	45.30
2	A'	1996	1854	96.85
3	A'	1497	1390	62.95
4	A'	1433	1331	180.76
5	A'	1321	1227	232.23
6	A'	908	844	41.14
7	A'	755	701	46.08
8	A'	565	525	20.16
9	A'	463	430	4.79
10	A'	272	253	7.22
11	A"	1314	1221	335.43
12	A"	1053	978	12.40
13	A"	567	527	2.84
14	A"	339	315	1.00
15	A"	81	75	15.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.359	0.000
C2	0.496	-1.091	0.000
O3	-0.253	-2.006	0.000
F4	-1.287	0.454	0.000
F5	0.496	0.975	1.071
F6	0.496	0.975	-1.071
H7	1.587	-1.197	0.000

	C1	C2	O3	F4	F5	F6	H7
C1		1.5267	2.3804	1.3091	1.3249	1.3249	2.2090
C2	1.5267		1.1820	2.3591	2.3280	2.3280	1.0958
O3	2.3804	1.1820		2.6682	3.2553	3.2553	2.0092
F4	1.3091	2.3591	2.6682		2.1443	2.1443	3.3140
F5	1.3249	2.3280	3.2553	2.1443		2.1425	2.6568
F6	1.3249	2.3280	3.2553	2.1443	2.1425		2.6568
H7	2.2090	1.0958	2.0092	3.3140	2.6568	2.6568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.484	C1	C2	H7	113.761
C2	C1	F4	112.364	C2	C1	F5	109.243
C2	C1	F6	109.243	O3	C2	H7	123.755
F4	C1	F5	108.991	F4	C1	F6	108.991
F5	C1	F6	107.907

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)

using model chemistry: CID/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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All results from a given calculation for CF3CHO (trifluoroacetaldehyde)

using model chemistry: CID/6-311G*

States and conformations

All results from a given calculation for CF₃CHO (trifluoroacetaldehyde)