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	hartrees
Energy at 0K	-153.448960
Energy at 298.15K
HF Energy	-152.937780
Nuclear repulsion energy	69.109983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	3158	10.84
2	A	3108	3108	10.57
3	A	3035	3035	4.63
4	A	2941	2941	105.51
5	A	1785	1785	159.21
6	A	1465	1465	7.92
7	A	1455	1455	18.82
8	A	1417	1417	9.97
9	A	1376	1376	11.84
10	A	1133	1133	20.58
11	A	1126	1126	0.01
12	A	899	899	4.70
13	A	771	771	0.72
14	A	503	503	13.78
15	A	157	157	1.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.233	0.404	0.000
C2	-1.176	-0.150	0.000
O3	1.243	-0.280	0.000
H4	0.311	1.519	0.000
H5	-1.160	-1.250	0.000
H6	-1.715	0.224	0.889
H7	-1.715	0.224	-0.889

	C1	C2	O3	H4	H5	H6	H7
C1		1.5140	1.2196	1.1177	2.1624	2.1482	2.1482
C2	1.5140		2.4224	2.2357	1.0997	1.1047	1.1047
O3	1.2196	2.4224		2.0254	2.5916	3.1290	3.1290
H4	1.1177	2.2357	2.0254		3.1355	2.5634	2.5634
H5	2.1624	1.0997	2.5916	3.1355		1.8084	1.8084
H6	2.1482	1.1047	3.1290	2.5634	1.8084		1.7778
H7	2.1482	1.1047	3.1290	2.5634	1.8084	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.653	C1	C2	H6	109.241
C1	C2	H7	109.241	C2	C1	O3	124.438
C2	C1	H4	115.505	O3	C1	H4	120.057
H5	C2	H6	110.241	H5	C2	H7	110.241
H6	C2	H7	107.148

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD/daug-cc-pVDZ

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: QCISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)