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	hartrees
Energy at 0K	-29.222769
Energy at 298.15K	-29.226685
HF Energy	-28.916589
Nuclear repulsion energy	38.342920

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'	3114	3039	19.94	45.73	0.75	0.86
2	A'	2975	2903	14.46	198.53	0.01	0.02
3	A'	2951	2880	110.17	109.11	0.52	0.69
4	A'	1593	1555	60.64	2.13	0.71	0.83
5	A'	1501	1465	33.34	17.80	0.69	0.82
6	A'	1442	1407	21.26	4.42	0.44	0.61
7	A'	1414	1380	3.60	14.91	0.55	0.71
8	A'	1152	1124	21.50	5.24	0.38	0.55
9	A'	900	879	5.60	9.45	0.33	0.49
10	A'	495	483	12.65	2.42	0.48	0.65
11	A"	3070	2996	20.89	63.87	0.75	0.86
12	A"	1496	1460	13.83	12.94	0.75	0.86
13	A"	1142	1115	0.22	0.20	0.75	0.86
14	A"	787	768	1.74	8.41	0.75	0.86
15	A"	152	148	0.95	0.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.480	0.000
C2	-0.994	-0.688	0.000
O3	1.265	0.330	0.000
H4	-0.431	1.504	0.000
H5	-0.446	-1.642	0.000
H6	-1.643	-0.629	0.891
H7	-1.643	-0.629	-0.891

	C1	C2	O3	H4	H5	H6	H7
C1		1.5336	1.2743	1.1107	2.1681	2.1730	2.1730
C2	1.5336		2.4780	2.2628	1.0992	1.1039	1.1039
O3	1.2743	2.4780		2.0629	2.6114	3.1892	3.1892
H4	1.1107	2.2628	2.0629		3.1453	2.6094	2.6094
H5	2.1681	1.0992	2.6114	3.1453		1.8027	1.8027
H6	2.1730	1.1039	3.1892	2.6094	1.8027		1.7817
H7	2.1730	1.1039	3.1892	2.6094	1.8027	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.777	C1	C2	H6	109.880
C1	C2	H7	109.880	C2	C1	O3	123.632
C2	C1	H4	116.777	O3	C1	H4	119.591
H5	C2	H6	109.830	H5	C2	H7	109.830
H6	C2	H7	107.614

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)