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	hartrees
Energy at 0K	-267.796494
Energy at 298.15K	-267.803735
HF Energy	-266.906239
Nuclear repulsion energy	178.516361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3578	49.52
2	A'	3189	3021	18.57
3	A'	3103	2938	8.92
4	A'	3100	2936	18.44
5	A'	1845	1747	229.46
6	A'	1542	1460	14.52
7	A'	1505	1425	16.11
8	A'	1463	1385	4.15
9	A'	1444	1367	68.19
10	A'	1340	1269	0.87
11	A'	1201	1137	261.55
12	A'	1119	1059	58.94
13	A'	1038	983	2.27
14	A'	841	796	9.78
15	A'	626	592	20.96
16	A'	477	452	22.80
17	A'	259	245	2.32
18	A"	3196	3027	18.87
19	A"	3148	2981	2.90
20	A"	1538	1456	9.64
21	A"	1312	1243	0.05
22	A"	1140	1079	0.23
23	A"	829	785	18.89
24	A"	683	647	110.72
25	A"	530	502	26.50
26	A"	227	215	0.00
27	A"	50	47	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.569	0.000
C2	-0.603	-0.812	0.000
C3	0.454	-1.905	0.000
O4	-0.962	1.522	0.000
O5	1.180	0.832	0.000
H6	-1.260	-0.884	0.872
H7	-1.260	-0.884	-0.872
H8	-0.015	-2.891	0.000
H9	1.094	-1.827	-0.879
H10	1.094	-1.827	0.879
H11	-0.503	2.373	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5061	2.5151	1.3542	1.2089	2.1116	2.1116	3.4596	2.7766	2.7766	1.8735
C2	1.5061		1.5208	2.3608	2.4247	1.0943	1.0943	2.1610	2.1643	2.1643	3.1864
C3	2.5151	1.5208		3.7079	2.8317	2.1770	2.1770	1.0915	1.0905	1.0905	4.3843
O4	1.3542	2.3608	3.7079		2.2502	2.5766	2.5766	4.5132	4.0268	4.0268	0.9671
O5	1.2089	2.4247	2.8317	2.2502		3.1076	3.1076	3.9098	2.8017	2.8017	2.2824
H6	2.1116	1.0943	2.1770	2.5766	3.1076		1.7447	2.5173	3.0817	2.5356	3.4561
H7	2.1116	1.0943	2.1770	2.5766	3.1076	1.7447		2.5173	2.5356	3.0817	3.4561
H8	3.4596	2.1610	1.0915	4.5132	3.9098	2.5173	2.5173		1.7706	1.7706	5.2868
H9	2.7766	2.1643	1.0905	4.0268	2.8017	3.0817	2.5356	1.7706		1.7585	4.5790
H10	2.7766	2.1643	1.0905	4.0268	2.8017	2.5356	3.0817	1.7706	1.7585		4.5790
H11	1.8735	3.1864	4.3843	0.9671	2.2824	3.4561	3.4561	5.2868	4.5790	4.5790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.384	C1	C2	H6	107.527
C1	C2	H7	107.527	C1	O4	H11	106.438
C2	C1	O4	111.141	C2	C1	O5	126.171
C2	C3	H8	110.548	C2	C3	H9	110.882
C2	C3	H10	110.882	C3	C2	H6	111.666
C3	C2	H7	111.666	O4	C1	O5	122.688
H6	C2	H7	105.718	H8	C3	H9	108.478
H8	C3	H10	108.478	H9	C3	H10	107.468

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

using model chemistry: MP2=FULL/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 CH3CH2COOH (Propanoic Acid)

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

States and conformations

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