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	hartrees
Energy at 0K	-152.362248
Energy at 298.15K	-152.366200
HF Energy	-152.051757
Nuclear repulsion energy	68.415508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3195	3039	9.02	43.74	0.74	0.85
2	A'	3086	2936	1.46	94.60	0.02	0.03
3	A'	2967	2822	126.20	113.82	0.33	0.50
4	A'	1658	1577	34.93	2.23	0.71	0.83
5	A'	1560	1484	25.10	21.33	0.74	0.85
6	A'	1474	1403	2.89	14.30	0.68	0.81
7	A'	1463	1392	28.97	4.83	0.74	0.85
8	A'	1147	1091	25.04	4.43	0.55	0.71
9	A'	882	839	12.49	7.01	0.31	0.47
10	A'	494	470	9.77	1.47	0.47	0.64
11	A"	3152	2999	6.93	58.56	0.75	0.86
12	A"	1580	1503	11.60	19.32	0.75	0.86
13	A"	1185	1127	0.62	0.67	0.75	0.86
14	A"	831	790	2.29	8.09	0.75	0.86
15	A"	172	163	0.17	1.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.468	0.000
C2	-0.972	-0.705	0.000
O3	1.246	0.364	0.000
H4	-0.494	1.456	0.000
H5	-0.407	-1.640	0.000
H6	-1.615	-0.656	0.887
H7	-1.615	-0.656	-0.887

	C1	C2	O3	H4	H5	H6	H7
C1		1.5237	1.2499	1.1041	2.1469	2.1582	2.1582
C2	1.5237		2.4621	2.2127	1.0921	1.0963	1.0963
O3	1.2499	2.4621		2.0537	2.5975	3.1636	3.1636
H4	1.1041	2.2127	2.0537		3.0964	2.5495	2.5495
H5	2.1469	1.0921	2.5975	3.0964		1.7923	1.7923
H6	2.1582	1.0963	3.1636	2.5495	1.7923		1.7738
H7	2.1582	1.0963	3.1636	2.5495	1.7923	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.200	C1	C2	H6	109.844
C1	C2	H7	109.844	C2	C1	O3	124.875
C2	C1	H4	113.757	O3	C1	H4	121.368
H5	C2	H6	109.971	H5	C2	H7	109.971
H6	C2	H7	107.997

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)