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	hartrees
Energy at 0K	-153.468865
Energy at 298.15K	-153.472797
HF Energy	-152.949603
Nuclear repulsion energy	69.572442

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'	3210	3040	7.77	48.76	0.74	0.85
2	A'	3081	2918	2.42	127.93	0.01	0.02
3	A'	2958	2802	133.93	153.83	0.33	0.49
4	A'	1795	1700	112.48	6.06	0.74	0.85
5	A'	1505	1425	24.05	16.13	0.67	0.80
6	A'	1453	1376	13.87	8.96	0.47	0.64
7	A'	1417	1342	26.99	3.36	0.60	0.75
8	A'	1157	1096	22.57	2.39	0.35	0.52
9	A'	913	865	5.96	5.79	0.41	0.58
10	A'	515	488	12.68	1.61	0.46	0.63
11	A"	3162	2995	7.36	64.01	0.75	0.86
12	A"	1510	1430	13.86	10.08	0.75	0.86
13	A"	1154	1093	0.26	0.95	0.75	0.86
14	A"	789	747	1.29	6.24	0.75	0.86
15	A"	155	147	0.50	1.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.940	-0.711	0.000
O3	1.210	0.376	0.000
H4	-0.486	1.461	0.000
H5	-0.375	-1.642	0.000
H6	-1.588	-0.667	0.880
H7	-1.588	-0.667	-0.880

	C1	C2	O3	H4	H5	H6	H7
C1		1.5039	1.2128	1.1101	2.1383	2.1387	2.1387
C2	1.5039		2.4085	2.2188	1.0892	1.0939	1.0939
O3	1.2128	2.4085		2.0136	2.5655	3.1129	3.1129
H4	1.1101	2.2188	2.0136		3.1051	2.5528	2.5528
H5	2.1383	1.0892	2.5655	3.1051		1.7883	1.7883
H6	2.1387	1.0939	3.1129	2.5528	1.7883		1.7594
H7	2.1387	1.0939	3.1129	2.5528	1.7883	1.7594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.071	C1	C2	H6	109.826
C1	C2	H7	109.826	C2	C1	O3	124.544
C2	C1	H4	115.338	O3	C1	H4	120.118
H5	C2	H6	110.001	H5	C2	H7	110.001
H6	C2	H7	107.068

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)