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	hartrees
Energy at 0K	-192.554612
Energy at 298.15K	-192.561036
HF Energy	-191.950864
Nuclear repulsion energy	118.601281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3002	18.62
2	A'	3120	2928	14.47
3	A'	3085	2895	21.59
4	A'	3003	2817	108.03
5	A'	1891	1775	108.95
6	A'	1560	1464	9.25
7	A'	1528	1434	10.28
8	A'	1487	1395	11.12
9	A'	1467	1376	3.87
10	A'	1429	1340	8.81
11	A'	1155	1084	15.14
12	A'	1041	977	0.88
13	A'	899	844	16.87
14	A'	693	650	7.94
15	A'	272	256	9.38
16	A"	3205	3007	18.14
17	A"	3118	2926	10.16
18	A"	1557	1460	6.60
19	A"	1324	1243	0.34
20	A"	1193	1120	0.29
21	A"	931	874	1.95
22	A"	705	662	3.29
23	A"	242	227	0.34
24	A"	142	133	2.77

Atom	x (Å)	y (Å)	z (Å)
C1	1.445	0.441	0.000
C2	0.000	0.919	0.000
C3	-0.999	-0.208	0.000
O4	-0.701	-1.382	0.000
H5	2.133	1.291	0.000
H6	1.649	-0.172	0.881
H7	1.649	-0.172	-0.881
H8	-0.216	1.551	0.873
H9	-0.216	1.551	-0.873
H10	-2.065	0.096	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5221	2.5289	2.8159	1.0930	1.0923	1.0923	2.1802	2.1802	3.5270
C2	1.5221		1.5067	2.4059	2.1648	2.1647	2.1647	1.0989	1.0989	2.2232
C3	2.5289	1.5067		1.2112	3.4721	2.7910	2.7910	2.1141	2.1141	1.1085
O4	2.8159	2.4059	1.2112		3.8953	2.7861	2.7861	3.0982	3.0982	2.0114
H5	1.0930	2.1648	3.4721	3.8953		1.7745	1.7745	2.5194	2.5194	4.3645
H6	1.0923	2.1647	2.7910	2.7861	1.7745		1.7615	2.5391	3.0859	3.8265
H7	1.0923	2.1647	2.7910	2.7861	1.7745	1.7615		3.0859	2.5391	3.8265
H8	2.1802	1.0989	2.1141	3.0982	2.5194	2.5391	3.0859		1.7462	2.5094
H9	2.1802	1.0989	2.1141	3.0982	2.5194	3.0859	2.5391	1.7462		2.5094
H10	3.5270	2.2232	1.1085	2.0114	4.3645	3.8265	3.8265	2.5094	2.5094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.225	C1	C2	H8	111.552
C1	C2	H9	111.552	C2	C1	H5	110.677
C2	C1	H6	110.714	C2	C1	H7	110.714
C2	C3	O4	124.204	C2	C3	H10	115.614
C3	C2	H8	107.427	C3	C2	H9	107.427
O4	C3	H10	120.182	H5	C1	H6	108.584
H5	C1	H7	108.584	H6	C1	H7	107.469
H8	C2	H9	105.220

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)