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	hartrees
Energy at 0K	-267.791952
Energy at 298.15K	-267.799149
HF Energy	-266.877117
Nuclear repulsion energy	178.735559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3582	69.19
2	A'	3217	3039	11.38
3	A'	3123	2950	15.17
4	A'	3121	2947	3.63
5	A'	1848	1745	207.37
6	A'	1530	1445	10.54
7	A'	1487	1404	13.26
8	A'	1441	1361	12.93
9	A'	1430	1351	55.46
10	A'	1323	1249	1.93
11	A'	1184	1118	222.34
12	A'	1107	1046	57.78
13	A'	1028	971	2.35
14	A'	836	790	9.06
15	A'	616	582	20.96
16	A'	469	443	19.88
17	A'	251	238	2.58
18	A"	3223	3045	9.69
19	A"	3169	2993	1.56
20	A"	1524	1440	6.14
21	A"	1296	1224	0.07
22	A"	1121	1058	0.24
23	A"	818	773	16.46
24	A"	674	637	85.70
25	A"	530	501	20.18
26	A"	217	205	0.00
27	A"	54	51	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.568	0.000
C2	-0.609	-0.809	0.000
C3	0.452	-1.900	0.000
O4	-0.958	1.523	0.000
O5	1.181	0.821	0.000
H6	-1.265	-0.879	0.872
H7	-1.265	-0.879	-0.872
H8	-0.013	-2.886	0.000
H9	1.090	-1.816	-0.879
H10	1.090	-1.816	0.879
H11	-0.477	2.363	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5056	2.5085	1.3533	1.2081	2.1102	2.1102	3.4539	2.7646	2.7646	1.8579
C2	1.5056		1.5213	2.3586	2.4215	1.0932	1.0932	2.1609	2.1618	2.1618	3.1752
C3	2.5085	1.5213		3.7021	2.8173	2.1792	2.1792	1.0901	1.0894	1.0894	4.3631
O4	1.3533	2.3586	3.7021		2.2517	2.5739	2.5739	4.5098	4.0150	4.0150	0.9680
O5	1.2081	2.4215	2.8173	2.2517		3.1041	3.1041	3.8949	2.7813	2.7813	2.2644
H6	2.1102	1.0932	2.1792	2.5739	3.1041		1.7432	2.5214	3.0804	2.5350	3.4486
H7	2.1102	1.0932	2.1792	2.5739	3.1041	1.7432		2.5214	2.5350	3.0804	3.4486
H8	3.4539	2.1609	1.0901	4.5098	3.8949	2.5214	2.5214		1.7701	1.7701	5.2700
H9	2.7646	2.1618	1.0894	4.0150	2.7813	3.0804	2.5350	1.7701		1.7571	4.5492
H10	2.7646	2.1618	1.0894	4.0150	2.7813	2.5350	3.0804	1.7701	1.7571		4.5492
H11	1.8579	3.1752	4.3631	0.9680	2.2644	3.4486	3.4486	5.2700	4.5492	4.5492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.940	C1	C2	H6	107.527
C1	C2	H7	107.527	C1	O4	H11	105.116
C2	C1	O4	111.063	C2	C1	O5	125.977
C2	C3	H8	110.603	C2	C3	H9	110.709
C2	C3	H10	110.709	C3	C2	H6	111.879
C3	C2	H7	111.879	O4	C1	O5	122.961
H6	C2	H7	105.750	H8	C3	H9	108.616
H8	C3	H10	108.616	H9	C3	H10	107.495

All results from a given calculation for CH₃CH₂COOH (Propanoic Acid)

using model chemistry: MP2/6-31G(2df,p)

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 CH3CH2COOH (Propanoic Acid)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CH₂COOH (Propanoic Acid)