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	hartrees
Energy at 0K	-267.926490
Energy at 298.15K	-267.933692
HF Energy	-266.950467
Nuclear repulsion energy	178.751781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3580	73.31
2	A'	3184	3023	14.53
3	A'	3097	2941	11.29
4	A'	3094	2938	12.47
5	A'	1825	1732	225.71
6	A'	1519	1442	10.41
7	A'	1474	1399	14.30
8	A'	1430	1358	18.38
9	A'	1418	1347	52.60
10	A'	1312	1246	3.23
11	A'	1173	1114	216.46
12	A'	1102	1046	80.59
13	A'	1026	974	1.80
14	A'	831	789	8.22
15	A'	616	584	19.10
16	A'	470	446	20.23
17	A'	253	240	2.42
18	A"	3188	3027	14.25
19	A"	3141	2982	1.62
20	A"	1512	1436	7.13
21	A"	1295	1230	0.04
22	A"	1117	1061	0.17
23	A"	816	775	12.55
24	A"	659	625	83.86
25	A"	527	500	23.37
26	A"	217	206	0.01
27	A"	55	52	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.566	0.000
C2	-0.605	-0.810	0.000
C3	0.449	-1.902	0.000
O4	-0.958	1.525	0.000
O5	1.181	0.824	0.000
H6	-1.259	-0.878	0.870
H7	-1.259	-0.878	-0.870
H8	-0.020	-2.884	0.000
H9	1.086	-1.823	-0.877
H10	1.086	-1.823	0.877
H11	-0.478	2.367	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5028	2.5087	1.3560	1.2089	2.1039	2.1039	3.4496	2.7666	2.7666	1.8634
C2	1.5028		1.5177	2.3618	2.4207	1.0904	1.0904	2.1546	2.1574	2.1574	3.1792
C3	2.5087	1.5177		3.7052	2.8233	2.1728	2.1728	1.0875	1.0870	1.0870	4.3687
O4	1.3560	2.3618	3.7052		2.2512	2.5736	2.5736	4.5077	4.0198	4.0198	0.9687
O5	1.2089	2.4207	2.8233	2.2512		3.0996	3.0996	3.8977	2.7900	2.7900	2.2656
H6	2.1039	1.0904	2.1728	2.5736	3.0996		1.7397	2.5126	3.0728	2.5282	3.4490
H7	2.1039	1.0904	2.1728	2.5736	3.0996	1.7397		2.5126	2.5282	3.0728	3.4490
H8	3.4496	2.1546	1.0875	4.5077	3.8977	2.5126	2.5126		1.7660	1.7660	5.2705
H9	2.7666	2.1574	1.0870	4.0198	2.7900	3.0728	2.5282	1.7660		1.7534	4.5573
H10	2.7666	2.1574	1.0870	4.0198	2.7900	2.5282	3.0728	1.7660	1.7534		4.5573
H11	1.8634	3.1792	4.3687	0.9687	2.2656	3.4490	3.4490	5.2705	4.5573	4.5573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.310	C1	C2	H6	107.377
C1	C2	H7	107.377	C1	O4	H11	105.339
C2	C1	O4	111.304	C2	C1	O5	126.075
C2	C3	H8	110.505	C2	C3	H9	110.761
C2	C3	H10	110.761	C3	C2	H6	111.793
C3	C2	H7	111.793	O4	C1	O5	122.621
H6	C2	H7	105.830	H8	C3	H9	108.604
H8	C3	H10	108.604	H9	C3	H10	107.513

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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