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	hartrees
Energy at 0K	-153.409880
Energy at 298.15K
HF Energy	-152.927692
Nuclear repulsion energy	69.321049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3057	8.77
2	A'	3070	2937	3.78
3	A'	2951	2823	123.55
4	A'	1875	1794	131.85
5	A'	1466	1403	14.73
6	A'	1444	1382	15.27
7	A'	1389	1329	11.59
8	A'	1140	1090	22.43
9	A'	911	872	4.47
10	A'	509	487	14.16
11	A"	3151	3015	9.58
12	A"	1477	1413	8.63
13	A"	1142	1092	0.20
14	A"	784	750	0.44
15	A"	169	161	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.935	-0.725	0.000
O3	1.207	0.390	0.000
H4	-0.509	1.465	0.000
H5	-0.356	-1.662	0.000
H6	-1.589	-0.684	0.890
H7	-1.589	-0.684	-0.890

	C1	C2	O3	H4	H5	H6	H7
C1		1.5142	1.2090	1.1214	2.1577	2.1543	2.1543
C2	1.5142		2.4140	2.2313	1.1013	1.1054	1.1054
O3	1.2090	2.4140		2.0251	2.5787	3.1242	3.1242
H4	1.1214	2.2313	2.0251		3.1310	2.5649	2.5649
H5	2.1577	1.1013	2.5787	3.1310		1.8081	1.8081
H6	2.1543	1.1054	3.1242	2.5649	1.8081		1.7800
H7	2.1543	1.1054	3.1242	2.5649	1.8081	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.166	C1	C2	H6	109.657
C1	C2	H7	109.657	C2	C1	O3	124.489
C2	C1	H4	114.870	O3	C1	H4	120.641
H5	C2	H6	110.033	H5	C2	H7	110.033
H6	C2	H7	107.245

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)