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	hartrees
Energy at 0K	-192.639062
Energy at 298.15K	-192.645471
HF Energy	-192.001328
Nuclear repulsion energy	118.423834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3025	18.11
2	A'	3092	2938	15.73
3	A'	3066	2913	21.74
4	A'	2942	2796	141.82
5	A'	1783	1694	95.24
6	A'	1521	1445	7.59
7	A'	1474	1401	10.54
8	A'	1441	1369	12.62
9	A'	1425	1355	2.46
10	A'	1382	1313	10.62
11	A'	1135	1078	13.03
12	A'	1017	966	1.00
13	A'	880	836	20.23
14	A'	678	644	6.08
15	A'	264	251	7.88
16	A"	3185	3026	19.17
17	A"	3108	2953	9.06
18	A"	1518	1442	7.10
19	A"	1295	1231	0.45
20	A"	1158	1100	0.58
21	A"	912	867	1.44
22	A"	683	649	2.60
23	A"	250	238	0.26
24	A"	143	136	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.447	0.446	0.000
C2	0.000	0.921	0.000
C3	-1.000	-0.211	0.000
O4	-0.701	-1.387	0.000
H5	2.134	1.296	0.000
H6	1.649	-0.168	0.880
H7	1.649	-0.168	-0.880
H8	-0.222	1.548	0.874
H9	-0.222	1.548	-0.874
H10	-2.066	0.102	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5232	2.5336	2.8246	1.0926	1.0921	1.0921	2.1829	2.1829	3.5300
C2	1.5232		1.5103	2.4126	2.1668	2.1636	2.1636	1.0985	1.0985	2.2223
C3	2.5336	1.5103		1.2136	3.4772	2.7917	2.7917	2.1128	2.1128	1.1114
O4	2.8246	2.4126	1.2136		3.9038	2.7906	2.7906	3.1002	3.1002	2.0202
H5	1.0926	2.1668	3.4772	3.9038		1.7755	1.7755	2.5257	2.5257	4.3664
H6	1.0921	2.1636	2.7917	2.7906	1.7755		1.7606	2.5390	3.0862	3.8277
H7	1.0921	2.1636	2.7917	2.7906	1.7755	1.7606		3.0862	2.5390	3.8277
H8	2.1829	1.0985	2.1128	3.1002	2.5257	2.5390	3.0862		1.7483	2.5011
H9	2.1829	1.0985	2.1128	3.1002	2.5257	3.0862	2.5390	1.7483		2.5011
H10	3.5300	2.2223	1.1114	2.0202	4.3664	3.8277	3.8277	2.5011	2.5011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.274	C1	C2	H8	111.713
C1	C2	H9	111.713	C2	C1	H5	110.785
C2	C1	H6	110.553	C2	C1	H7	110.553
C2	C3	O4	124.328	C2	C3	H10	115.071
C3	C2	H8	107.112	C3	C2	H9	107.112
O4	C3	H10	120.601	H5	C1	H6	108.719
H5	C1	H7	108.719	H6	C1	H7	107.420
H8	C2	H9	105.461

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)