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	hartrees
Energy at 0K	-153.573206
Energy at 298.15K
HF Energy	-152.977094
Nuclear repulsion energy	69.789205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3031	8.02
2	A'	3054	2919	3.22
3	A'	2955	2824	91.57
4	A'	1829	1749	158.99
5	A'	1489	1423	19.96
6	A'	1442	1378	11.75
7	A'	1408	1346	13.45
8	A'	1151	1100	21.94
9	A'	910	869	5.99
10	A'	512	490	14.35
11	A"	3120	2982	7.54
12	A"	1500	1433	8.79
13	A"	1152	1101	0.00
14	A"	789	754	1.07
15	A"	160	153	1.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.935	-0.713	0.000
O3	1.204	0.377	0.000
H4	-0.483	1.456	0.000
H5	-0.376	-1.646	0.000
H6	-1.582	-0.662	0.879
H7	-1.582	-0.662	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5022	1.2068	1.1049	2.1418	2.1304	2.1304
C2	1.5022		2.4003	2.2161	1.0873	1.0923	1.0923
O3	1.2068	2.4003		2.0028	2.5663	3.0999	3.0999
H4	1.1049	2.2161	2.0028		3.1041	2.5429	2.5429
H5	2.1418	1.0873	2.5663	3.1041		1.7871	1.7871
H6	2.1304	1.0923	3.0999	2.5429	1.7871		1.7574
H7	2.1304	1.0923	3.0999	2.5429	1.7871	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.583	C1	C2	H6	109.379
C1	C2	H7	109.379	C2	C1	O3	124.398
C2	C1	H4	115.588	O3	C1	H4	120.015
H5	C2	H6	110.158	H5	C2	H7	110.158
H6	C2	H7	107.113

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD/aug-cc-pVTZ

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 CH3CHO (Acetaldehyde)

using model chemistry: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)