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	hartrees
Energy at 0K	-192.616897
Energy at 298.15K	-192.623296
HF Energy	-191.965520
Nuclear repulsion energy	118.620565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3009	21.07
2	A'	3145	2929	17.89
3	A'	3115	2902	29.00
4	A'	3042	2834	99.90
5	A'	1874	1746	140.27
6	A'	1553	1447	7.92
7	A'	1517	1414	11.01
8	A'	1483	1381	11.25
9	A'	1464	1363	4.12
10	A'	1426	1328	6.85
11	A'	1153	1074	12.60
12	A'	1038	967	1.00
13	A'	893	832	17.05
14	A'	687	640	8.64
15	A'	263	245	8.85
16	A"	3235	3013	21.73
17	A"	3152	2937	10.61
18	A"	1548	1442	6.60
19	A"	1317	1227	0.78
20	A"	1188	1107	0.52
21	A"	928	864	0.95
22	A"	699	651	2.13
23	A"	238	222	0.42
24	A"	133	124	3.75

Atom	x (Å)	y (Å)	z (Å)
C1	1.449	0.452	0.000
C2	0.000	0.915	0.000
C3	-0.999	-0.212	0.000
O4	-0.705	-1.388	0.000
H5	2.120	1.308	0.000
H6	1.660	-0.154	0.877
H7	1.660	-0.154	-0.877
H8	-0.222	1.540	0.870
H9	-0.222	1.540	-0.870
H10	-2.057	0.092	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5213	2.5361	2.8335	1.0873	1.0869	1.0869	2.1751	2.1751	3.5250
C2	1.5213		1.5058	2.4092	2.1562	2.1608	2.1608	1.0932	1.0932	2.2162
C3	2.5361	1.5058		1.2126	3.4692	2.8001	2.8001	2.1038	2.1038	1.1016
O4	2.8335	2.4092	1.2126		3.9054	2.8084	2.8084	3.0922	3.0922	2.0048
H5	1.0873	2.1562	3.4692	3.9054		1.7657	1.7657	2.5092	2.5092	4.3510
H6	1.0869	2.1608	2.8001	2.8084	1.7657		1.7540	2.5320	3.0759	3.8275
H7	1.0869	2.1608	2.8001	2.8084	1.7657	1.7540		3.0759	2.5320	3.8275
H8	2.1751	1.0932	2.1038	3.0922	2.5092	2.5320	3.0759		1.7392	2.4941
H9	2.1751	1.0932	2.1038	3.0922	2.5092	3.0759	2.5320	1.7392		2.4941
H10	3.5250	2.2162	1.1016	2.0048	4.3510	3.8275	3.8275	2.4941	2.4941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.812	C1	C2	H8	111.549
C1	C2	H9	111.549	C2	C1	H5	110.388
C2	C1	H6	110.781	C2	C1	H7	110.781
C2	C3	O4	124.468	C2	C3	H10	115.541
C3	C2	H8	107.017	C3	C2	H9	107.017
O4	C3	H10	119.992	H5	C1	H6	108.608
H5	C1	H7	108.608	H6	C1	H7	107.588
H8	C2	H9	105.402

All results from a given calculation for CH₃CH₂CHO (Propanal)

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

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/6-31+G**

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)