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	hartrees
Energy at 0K	-192.675552
Energy at 298.15K	-192.681957
HF Energy	-192.001813
Nuclear repulsion energy	118.312212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3146	23.63
2	A'	3071	3071	15.91
3	A'	3048	3048	27.92
4	A'	2940	2940	128.28
5	A'	1838	1838	120.71
6	A'	1523	1523	7.09
7	A'	1485	1485	7.91
8	A'	1451	1451	11.08
9	A'	1435	1435	4.72
10	A'	1395	1395	7.27
11	A'	1135	1135	13.37
12	A'	1018	1018	1.00
13	A'	875	875	17.88
14	A'	678	678	8.22
15	A'	264	264	8.13
16	A"	3151	3151	25.77
17	A"	3081	3081	12.39
18	A"	1519	1519	5.85
19	A"	1301	1301	0.48
20	A"	1166	1166	0.41
21	A"	915	915	1.28
22	A"	690	690	1.77
23	A"	246	246	0.37
24	A"	140	140	2.67

Atom	x (Å)	y (Å)	z (Å)
C1	1.453	0.449	0.000
C2	0.000	0.921	0.000
C3	-1.002	-0.216	0.000
O4	-0.706	-1.386	0.000
H5	2.136	1.304	0.000
H6	1.659	-0.164	0.882
H7	1.659	-0.164	-0.882
H8	-0.221	1.548	0.876
H9	-0.221	1.548	-0.876
H10	-2.069	0.097	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5277	2.5436	2.8336	1.0949	1.0942	1.0942	2.1856	2.1856	3.5393
C2	1.5277		1.5158	2.4130	2.1704	2.1701	2.1701	1.0998	1.0998	2.2269
C3	2.5436	1.5158		1.2069	3.4874	2.8042	2.8042	2.1191	2.1191	1.1116
O4	2.8336	2.4130	1.2069		3.9138	2.8046	2.8046	3.1005	3.1005	2.0141
H5	1.0949	2.1704	3.4874	3.9138		1.7785	1.7785	2.5264	2.5264	4.3750
H6	1.0942	2.1701	2.8042	2.8046	1.7785		1.7650	2.5427	3.0917	3.8398
H7	1.0942	2.1701	2.8042	2.8046	1.7785	1.7650		3.0917	2.5427	3.8398
H8	2.1856	1.0998	2.1191	3.1005	2.5264	2.5427	3.0917		1.7525	2.5077
H9	2.1856	1.0998	2.1191	3.1005	2.5264	3.0917	2.5427	1.7525		2.5077
H10	3.5393	2.2269	1.1116	2.0141	4.3750	3.8398	3.8398	2.5077	2.5077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.382	C1	C2	H8	111.534
C1	C2	H9	111.534	C2	C1	H5	110.616
C2	C1	H6	110.632	C2	C1	H7	110.632
C2	C3	O4	124.414	C2	C3	H10	115.029
C3	C2	H8	107.155	C3	C2	H9	107.155
O4	C3	H10	120.557	H5	C1	H6	108.677
H5	C1	H7	108.677	H6	C1	H7	107.519
H8	C2	H9	105.643

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: CCSD/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 CH3CH2CHO (Propanal)

using model chemistry: CCSD/6-311G**

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)