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	hartrees
Energy at 0K	-192.702069
Energy at 298.15K	-192.708440
HF Energy	-192.000386
Nuclear repulsion energy	117.935169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3139	3044
2	A'	3057	2964
3	A'	3029	2937
4	A'	2892	2804
5	A'	1747	1694
6	A'	1512	1466
7	A'	1469	1424
8	A'	1433	1390
9	A'	1409	1367
10	A'	1373	1331
11	A'	1123	1089
12	A'	1005	975
13	A'	863	837
14	A'	666	646
15	A'	260	252
16	A"	3141	3046
17	A"	3066	2973
18	A"	1509	1463
19	A"	1286	1247
20	A"	1147	1112
21	A"	901	874
22	A"	678	657
23	A"	247	240
24	A"	141	136

Atom	x (Å)	y (Å)	z (Å)
C1	1.453	0.449	0.000
C2	0.000	0.926	0.000
C3	-1.004	-0.214	0.000
O4	-0.704	-1.394	0.000
H5	2.140	1.303	0.000
H6	1.656	-0.166	0.883
H7	1.656	-0.166	-0.883
H8	-0.221	1.554	0.878
H9	-0.221	1.554	-0.878
H10	-2.074	0.102	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5295	2.5452	2.8376	1.0960	1.0955	1.0955	2.1896	2.1896	3.5442
C2	1.5295		1.5189	2.4245	2.1734	2.1715	2.1715	1.1017	1.1017	2.2315
C3	2.5452	1.5189		1.2178	3.4912	2.8033	2.8033	2.1230	2.1230	1.1156
O4	2.8376	2.4245	1.2178		3.9200	2.8033	2.8033	3.1133	3.1133	2.0288
H5	1.0960	2.1734	3.4912	3.9200		1.7814	1.7814	2.5320	2.5320	4.3821
H6	1.0955	2.1715	2.8033	2.8033	1.7814		1.7668	2.5459	3.0957	3.8425
H7	1.0955	2.1715	2.8033	2.8033	1.7814	1.7668		3.0957	2.5459	3.8425
H8	2.1896	1.1017	2.1230	3.1133	2.5320	2.5459	3.0957		1.7558	2.5118
H9	2.1896	1.1017	2.1230	3.1133	2.5320	3.0957	2.5459	1.7558		2.5118
H10	3.5442	2.2315	1.1156	2.0288	4.3821	3.8425	3.8425	2.5118	2.5118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.219	C1	C2	H8	111.618
C1	C2	H9	111.618	C2	C1	H5	110.663
C2	C1	H6	110.542	C2	C1	H7	110.542
C2	C3	O4	124.361	C2	C3	H10	114.918
C3	C2	H8	107.143	C3	C2	H9	107.143
O4	C3	H10	120.721	H5	C1	H6	108.757
H5	C1	H7	108.757	H6	C1	H7	107.492
H8	C2	H9	105.668

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)