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	hartrees
Energy at 0K	-192.569962
Energy at 298.15K	-192.576321
HF Energy	-191.948587
Nuclear repulsion energy	117.876985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3013
2	A'	3074	2936
3	A'	3036	2899
4	A'	2917	2785
5	A'	1760	1680
6	A'	1544	1475
7	A'	1508	1440
8	A'	1464	1398
9	A'	1430	1365
10	A'	1400	1337
11	A'	1138	1086
12	A'	1023	977
13	A'	879	840
14	A'	674	643
15	A'	265	253
16	A"	3161	3018
17	A"	3072	2933
18	A"	1542	1472
19	A"	1305	1246
20	A"	1169	1116
21	A"	912	871
22	A"	693	661
23	A"	238	227
24	A"	136	130

Atom	x (Å)	y (Å)	z (Å)
C1	1.448	0.446	0.000
C2	0.000	0.927	0.000
C3	-1.002	-0.207	0.000
O4	-0.701	-1.397	0.000
H5	2.141	1.297	0.000
H6	1.652	-0.169	0.884
H7	1.652	-0.169	-0.884
H8	-0.218	1.559	0.877
H9	-0.218	1.559	-0.877
H10	-2.073	0.104	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5259	2.5363	2.8320	1.0968	1.0961	1.0961	2.1875	2.1875	3.5384
C2	1.5259		1.5134	2.4274	2.1724	2.1707	2.1707	1.1031	1.1031	2.2307
C3	2.5363	1.5134		1.2273	3.4844	2.7979	2.7979	2.1225	2.1225	1.1154
O4	2.8320	2.4274	1.2273		3.9162	2.7978	2.7978	3.1215	3.1215	2.0336
H5	1.0968	2.1724	3.4844	3.9162		1.7805	1.7805	2.5301	2.5301	4.3797
H6	1.0961	2.1707	2.7979	2.7978	1.7805		1.7671	2.5470	3.0961	3.8387
H7	1.0961	2.1707	2.7979	2.7978	1.7805	1.7671		3.0961	2.5470	3.8387
H8	2.1875	1.1031	2.1225	3.1215	2.5301	2.5470	3.0961		1.7537	2.5158
H9	2.1875	1.1031	2.1225	3.1215	2.5301	3.0961	2.5470	1.7537		2.5158
H10	3.5384	2.2307	1.1154	2.0336	4.3797	3.8387	3.8387	2.5158	2.5158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.125	C1	C2	H8	111.610
C1	C2	H9	111.610	C2	C1	H5	110.786
C2	C1	H6	110.692	C2	C1	H7	110.692
C2	C3	O4	124.340	C2	C3	H10	115.272
C3	C2	H8	107.385	C3	C2	H9	107.385
O4	C3	H10	120.388	H5	C1	H6	108.570
H5	C1	H7	108.570	H6	C1	H7	107.427
H8	C2	H9	105.294

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)