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	hartrees
Energy at 0K	-192.827003
Energy at 298.15K	-192.833366
HF Energy	-192.022938
Nuclear repulsion energy	118.494471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3131	3052
2	A'	3054	2977
3	A'	3027	2951
4	A'	2918	2844
5	A'	1788	1743
6	A'	1507	1469
7	A'	1462	1425
8	A'	1428	1392
9	A'	1412	1377
10	A'	1372	1338
11	A'	1120	1092
12	A'	1006	980
13	A'	867	845
14	A'	669	652
15	A'	256	250
16	A"	3132	3053
17	A"	3058	2981
18	A"	1501	1463
19	A"	1287	1254
20	A"	1148	1119
21	A"	902	879
22	A"	676	659
23	A"	241	235
24	A"	140	136

Atom	x (Å)	y (Å)	z (Å)
C1	1.448	0.448	0.000
C2	0.000	0.920	0.000
C3	-0.999	-0.212	0.000
O4	-0.703	-1.387	0.000
H5	2.131	1.299	0.000
H6	1.654	-0.163	0.879
H7	1.654	-0.163	-0.879
H8	-0.223	1.546	0.872
H9	-0.223	1.546	-0.872
H10	-2.063	0.097	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5230	2.5348	2.8282	1.0907	1.0904	1.0904	2.1813	2.1813	3.5285
C2	1.5230		1.5094	2.4118	2.1642	2.1638	2.1638	1.0964	1.0964	2.2206
C3	2.5348	1.5094		1.2121	3.4753	2.7954	2.7954	2.1101	2.1101	1.1076
O4	2.8282	2.4118	1.2121		3.9049	2.7979	2.7979	3.0977	3.0977	2.0129
H5	1.0907	2.1642	3.4753	3.9049		1.7716	1.7716	2.5220	2.5220	4.3622
H6	1.0904	2.1638	2.7954	2.7979	1.7716		1.7575	2.5390	3.0840	3.8283
H7	1.0904	2.1638	2.7954	2.7979	1.7716	1.7575		3.0840	2.5390	3.8283
H8	2.1813	1.0964	2.1101	3.0977	2.5220	2.5390	3.0840		1.7435	2.4988
H9	2.1813	1.0964	2.1101	3.0977	2.5220	3.0840	2.5390	1.7435		2.4988
H10	3.5285	2.2206	1.1076	2.0129	4.3622	3.8283	3.8283	2.4988	2.4988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.417	C1	C2	H8	111.726
C1	C2	H9	111.726	C2	C1	H5	110.703
C2	C1	H6	110.688	C2	C1	H7	110.688
C2	C3	O4	124.437	C2	C3	H10	115.242
C3	C2	H8	107.081	C3	C2	H9	107.081
O4	C3	H10	120.321	H5	C1	H6	108.633
H5	C1	H7	108.633	H6	C1	H7	107.398
H8	C2	H9	105.329

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: CCSD(T)/cc-pVTZ

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)/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)