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	hartrees
Energy at 0K	-192.618754
Energy at 298.15K	-192.625119
HF Energy	-191.959518
Nuclear repulsion energy	118.202617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3193	3028
2	A'	3108	2948
3	A'	3075	2917
4	A'	2973	2820
5	A'	1802	1709
6	A'	1549	1469
7	A'	1509	1432
8	A'	1467	1391
9	A'	1444	1370
10	A'	1406	1333
11	A'	1140	1081
12	A'	1022	970
13	A'	880	835
14	A'	674	639
15	A'	264	251
16	A"	3198	3033
17	A"	3113	2953
18	A"	1546	1467
19	A"	1310	1242
20	A"	1171	1110
21	A"	913	866
22	A"	692	656
23	A"	237	225
24	A"	131	124

Atom	x (Å)	y (Å)	z (Å)
C1	1.448	0.446	0.000
C2	0.000	0.925	0.000
C3	-1.002	-0.208	0.000
O4	-0.701	-1.393	0.000
H5	2.134	1.294	0.000
H6	1.649	-0.166	0.879
H7	1.649	-0.166	-0.879
H8	-0.217	1.553	0.873
H9	-0.217	1.553	-0.873
H10	-2.066	0.101	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5248	2.5356	2.8277	1.0909	1.0903	1.0903	2.1813	2.1813	3.5300
C2	1.5248		1.5129	2.4213	2.1656	2.1644	2.1644	1.0969	1.0969	2.2237
C3	2.5356	1.5129		1.2221	3.4773	2.7940	2.7940	2.1167	2.1167	1.1076
O4	2.8277	2.4213	1.2221		3.9055	2.7931	2.7931	3.1100	3.1100	2.0236
H5	1.0909	2.1656	3.4773	3.9055		1.7719	1.7719	2.5211	2.5211	4.3656
H6	1.0903	2.1644	2.7940	2.7931	1.7719		1.7589	2.5374	3.0837	3.8271
H7	1.0903	2.1644	2.7940	2.7931	1.7719	1.7589		3.0837	2.5374	3.8271
H8	2.1813	1.0969	2.1167	3.1100	2.5211	2.5374	3.0837		1.7458	2.5072
H9	2.1813	1.0969	2.1167	3.1100	2.5211	3.0837	2.5374	1.7458		2.5072
H10	3.5300	2.2237	1.1076	2.0236	4.3656	3.8271	3.8271	2.5072	2.5072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.172	C1	C2	H8	111.567
C1	C2	H9	111.567	C2	C1	H5	110.676
C2	C1	H6	110.619	C2	C1	H7	110.619
C2	C3	O4	124.236	C2	C3	H10	115.248
C3	C2	H8	107.324	C3	C2	H9	107.324
O4	C3	H10	120.516	H5	C1	H6	108.652
H5	C1	H7	108.652	H6	C1	H7	107.532
H8	C2	H9	105.460

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G**

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)