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	hartrees
Energy at 0K	-152.378412
Energy at 298.15K
HF Energy	-152.052790
Nuclear repulsion energy	68.579093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3056	10.89
2	A'	3042	2958	2.45
3	A'	2946	2865	103.40
4	A'	1730	1682	43.99
5	A'	1550	1507	16.14
6	A'	1476	1436	3.76
7	A'	1454	1414	25.49
8	A'	1142	1110	24.67
9	A'	882	858	10.02
10	A'	496	482	11.16
11	A"	3099	3013	9.71
12	A"	1561	1518	11.21
13	A"	1172	1139	0.29
14	A"	824	801	2.43
15	A"	169	164	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.470	0.000
C2	-0.963	-0.715	0.000
O3	1.235	0.376	0.000
H4	-0.499	1.457	0.000
H5	-0.389	-1.648	0.000
H6	-1.608	-0.673	0.890
H7	-1.608	-0.673	-0.890

	C1	C2	O3	H4	H5	H6	H7
C1		1.5267	1.2384	1.1059	2.1535	2.1641	2.1641
C2	1.5267		2.4531	2.2209	1.0956	1.0998	1.0998
O3	1.2384	2.4531		2.0434	2.5943	3.1577	3.1577
H4	1.1059	2.2209	2.0434		3.1071	2.5611	2.5611
H5	2.1535	1.0956	2.5943	3.1071		1.7966	1.7966
H6	2.1641	1.0998	3.1577	2.5611	1.7966		1.7797
H7	2.1641	1.0998	3.1577	2.5611	1.7966	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.317	C1	C2	H6	109.903
C1	C2	H7	109.903	C2	C1	O3	124.709
C2	C1	H4	114.094	O3	C1	H4	121.197
H5	C2	H6	109.844	H5	C2	H7	109.844
H6	C2	H7	108.015

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)