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	hartrees
Energy at 0K	-192.297127
Energy at 298.15K	-192.303484
HF Energy	-191.858464
Nuclear repulsion energy	116.579206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	2984	25.98
2	A'	3024	2914	16.42
3	A'	2994	2885	37.95
4	A'	2950	2842	96.90
5	A'	1677	1616	66.50
6	A'	1550	1493	8.21
7	A'	1525	1469	13.11
8	A'	1477	1424	5.98
9	A'	1438	1385	6.63
10	A'	1396	1345	7.70
11	A'	1129	1088	15.80
12	A'	1038	1000	1.82
13	A'	862	831	15.62
14	A'	673	649	6.64
15	A'	268	259	9.57
16	A"	3104	2991	28.17
17	A"	3022	2912	14.02
18	A"	1548	1491	5.78
19	A"	1311	1264	0.52
20	A"	1179	1136	0.61
21	A"	921	887	1.54
22	A"	718	692	3.50
23	A"	224	216	0.37
24	A"	128	124	3.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.466	0.448	0.000
C2	0.000	0.936	0.000
C3	-1.017	-0.200	0.000
O4	-0.713	-1.416	0.000
H5	2.157	1.307	0.000
H6	1.673	-0.169	0.888
H7	1.673	-0.169	-0.888
H8	-0.205	1.572	0.883
H9	-0.205	1.572	-0.883
H10	-2.085	0.104	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5453	2.5665	2.8676	1.1021	1.1013	1.1013	2.1996	2.1996	3.5675
C2	1.5453		1.5243	2.4570	2.1891	2.1929	2.1929	1.1076	1.1076	2.2442
C3	2.5665	1.5243		1.2533	3.5137	2.8332	2.8332	2.1395	2.1395	1.1100
O4	2.8676	2.4570	1.2533		3.9560	2.8351	2.8351	3.1566	3.1566	2.0471
H5	1.1021	2.1891	3.5137	3.9560		1.7891	1.7891	2.5364	2.5364	4.4091
H6	1.1013	2.1929	2.8332	2.8351	1.7891		1.7770	2.5614	3.1142	3.8709
H7	1.1013	2.1929	2.8332	2.8351	1.7891	1.7770		3.1142	2.5614	3.8709
H8	2.1996	1.1076	2.1395	3.1566	2.5364	2.5614	3.1142		1.7656	2.5426
H9	2.1996	1.1076	2.1395	3.1566	2.5364	3.1142	2.5614	1.7656		2.5426
H10	3.5675	2.2442	1.1100	2.0471	4.4091	3.8709	3.8709	2.5426	2.5426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.456	C1	C2	H8	110.940
C1	C2	H9	110.940	C2	C1	H5	110.439
C2	C1	H6	110.790	C2	C1	H7	110.790
C2	C3	O4	124.117	C2	C3	H10	115.957
C3	C2	H8	107.715	C3	C2	H9	107.715
O4	C3	H10	119.926	H5	C1	H6	108.582
H5	C1	H7	108.582	H6	C1	H7	107.567
H8	C2	H9	105.704

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: QCISD/6-31G

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 CH3CH2CHO (Propanal)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)