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	hartrees
Energy at 0K	-192.835667
Energy at 298.15K	-192.841980
HF Energy	-192.029357
Nuclear repulsion energy	118.330920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3138	3138
2	A'	3057	3057
3	A'	3028	3028
4	A'	2905	2905
5	A'	1734	1734
6	A'	1505	1505
7	A'	1455	1455
8	A'	1422	1422
9	A'	1404	1404
10	A'	1363	1363
11	A'	1115	1115
12	A'	1000	1000
13	A'	862	862
14	A'	663	663
15	A'	253	253
16	A"	3138	3138
17	A"	3062	3062
18	A"	1499	1499
19	A"	1282	1282
20	A"	1141	1141
21	A"	893	893
22	A"	668	668
23	A"	231	231
24	A"	137	137

Atom	x (Å)	y (Å)	z (Å)
C1	1.449	0.451	0.000
C2	0.000	0.920	0.000
C3	-0.999	-0.211	0.000
O4	-0.704	-1.392	0.000
H5	2.129	1.303	0.000
H6	1.656	-0.160	0.879
H7	1.656	-0.160	-0.879
H8	-0.225	1.546	0.872
H9	-0.225	1.546	-0.872
H10	-2.063	0.100	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5232	2.5361	2.8341	1.0905	1.0903	1.0903	2.1824	2.1824	3.5300
C2	1.5232		1.5094	2.4173	2.1636	2.1639	2.1639	1.0966	1.0966	2.2206
C3	2.5361	1.5094		1.2175	3.4757	2.7972	2.7972	2.1086	2.1086	1.1089
O4	2.8341	2.4173	1.2175		3.9105	2.8034	2.8034	3.1020	3.1020	2.0188
H5	1.0905	2.1636	3.4757	3.9105		1.7713	1.7713	2.5227	2.5227	4.3621
H6	1.0903	2.1639	2.7972	2.8034	1.7713		1.7580	2.5396	3.0847	3.8307
H7	1.0903	2.1639	2.7972	2.8034	1.7713	1.7580		3.0847	2.5396	3.8307
H8	2.1824	1.0966	2.1086	3.1020	2.5227	2.5396	3.0847		1.7439	2.4961
H9	2.1824	1.0966	2.1086	3.1020	2.5227	3.0847	2.5396	1.7439		2.4961
H10	3.5300	2.2206	1.1089	2.0188	4.3621	3.8307	3.8307	2.4961	2.4961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.494	C1	C2	H8	111.793
C1	C2	H9	111.793	C2	C1	H5	110.654
C2	C1	H6	110.685	C2	C1	H7	110.685
C2	C3	O4	124.519	C2	C3	H10	115.156
C3	C2	H8	106.959	C3	C2	H9	106.959
O4	C3	H10	120.325	H5	C1	H6	108.634
H5	C1	H7	108.634	H6	C1	H7	107.454
H8	C2	H9	105.344

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: MP4/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)