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	hartrees
Energy at 0K	-267.657431
Energy at 298.15K	-267.664657
HF Energy	-266.857789
Nuclear repulsion energy	178.317603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3817	3566	60.87
2	A'	3246	3033	17.35
3	A'	3149	2943	16.24
4	A'	3147	2940	8.74
5	A'	1854	1732	205.21
6	A'	1563	1461	9.02
7	A'	1522	1423	10.99
8	A'	1477	1380	7.42
9	A'	1456	1361	59.54
10	A'	1336	1249	8.43
11	A'	1196	1118	217.00
12	A'	1122	1049	81.14
13	A'	1045	976	1.69
14	A'	843	788	7.70
15	A'	618	577	21.13
16	A'	473	442	22.97
17	A'	256	240	2.42
18	A"	3254	3041	16.74
19	A"	3197	2988	3.80
20	A"	1558	1456	5.26
21	A"	1322	1236	0.00
22	A"	1145	1069	0.31
23	A"	833	778	14.43
24	A"	679	635	108.32
25	A"	529	494	19.23
26	A"	223	209	0.00
27	A"	52	49	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.566	0.000
C2	-0.605	-0.811	0.000
C3	0.447	-1.905	0.000
O4	-0.963	1.527	0.000
O5	1.189	0.827	0.000
H6	-1.259	-0.881	0.870
H7	-1.259	-0.881	-0.870
H8	-0.025	-2.885	0.000
H9	1.083	-1.826	-0.877
H10	1.083	-1.826	0.877
H11	-0.485	2.372	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5046	2.5116	1.3598	1.2172	2.1063	2.1063	3.4512	2.7689	2.7689	1.8693
C2	1.5046		1.5181	2.3650	2.4295	1.0903	1.0903	2.1535	2.1567	2.1567	3.1850
C3	2.5116	1.5181		3.7102	2.8307	2.1717	2.1717	1.0872	1.0863	1.0863	4.3772
O4	1.3598	2.3650	3.7102		2.2628	2.5771	2.5771	4.5101	4.0246	4.0246	0.9705
O5	1.2172	2.4295	2.8307	2.2628		3.1090	3.1090	3.9047	2.7960	2.7960	2.2782
H6	2.1063	1.0903	2.1717	2.5771	3.1090		1.7399	2.5091	3.0710	2.5258	3.4547
H7	2.1063	1.0903	2.1717	2.5771	3.1090	1.7399		2.5091	2.5258	3.0710	3.4547
H8	3.4512	2.1535	1.0872	4.5101	3.9047	2.5091	2.5091		1.7654	1.7654	5.2765
H9	2.7689	2.1567	1.0863	4.0246	2.7960	3.0710	2.5258	1.7654		1.7540	4.5663
H10	2.7689	2.1567	1.0863	4.0246	2.7960	2.5258	3.0710	1.7654	1.7540		4.5663
H11	1.8693	3.1850	4.3772	0.9705	2.2782	3.4547	3.4547	5.2765	4.5663	4.5663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.381	C1	C2	H6	107.449
C1	C2	H7	107.449	C1	O4	H11	105.458
C2	C1	O4	111.205	C2	C1	O5	126.071
C2	C3	H8	110.401	C2	C3	H9	110.709
C2	C3	H10	110.709	C3	C2	H6	111.678
C3	C2	H7	111.678	O4	C1	O5	122.724
H6	C2	H7	105.855	H8	C3	H9	108.633
H8	C3	H10	108.633	H9	C3	H10	107.672

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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