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	hartrees
Energy at 0K	-267.737814
Energy at 298.15K	-267.745040
HF Energy	-266.906434
Nuclear repulsion energy	178.218897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3798	3637	38.04
2	A'	3131	2997	24.95
3	A'	3061	2931	7.31
4	A'	3055	2925	24.82
5	A'	1862	1783	260.89
6	A'	1532	1466	15.27
7	A'	1504	1440	11.62
8	A'	1465	1403	11.37
9	A'	1447	1385	51.35
10	A'	1354	1297	3.89
11	A'	1214	1162	269.39
12	A'	1115	1067	41.09
13	A'	1032	988	2.03
14	A'	838	802	9.26
15	A'	627	600	23.96
16	A'	475	455	21.83
17	A'	257	246	2.32
18	A"	3138	3005	26.87
19	A"	3096	2964	4.14
20	A"	1526	1461	8.18
21	A"	1308	1252	0.04
22	A"	1139	1091	0.51
23	A"	827	792	19.01
24	A"	676	648	111.85
25	A"	528	505	25.60
26	A"	222	213	0.00
27	A"	51	49	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.573	0.000
C2	-0.602	-0.815	0.000
C3	0.457	-1.914	0.000
O4	-0.962	1.525	0.000
O5	1.176	0.838	0.000
H6	-1.261	-0.888	0.875
H7	-1.261	-0.888	-0.875
H8	-0.017	-2.901	0.000
H9	1.100	-1.838	-0.883
H10	1.100	-1.838	0.883
H11	-0.508	2.377	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5123	2.5279	1.3535	1.2057	2.1184	2.1184	3.4740	2.7927	2.7927	1.8750
C2	1.5123		1.5263	2.3674	2.4278	1.0978	1.0978	2.1672	2.1731	2.1731	3.1934
C3	2.5279	1.5263		3.7200	2.8442	2.1840	2.1840	1.0955	1.0945	1.0945	4.3983
O4	1.3535	2.3674	3.7200		2.2453	2.5840	2.5840	4.5262	4.0421	4.0421	0.9651
O5	1.2057	2.4278	2.8442	2.2453		3.1116	3.1116	3.9252	2.8190	2.8190	2.2818
H6	2.1184	1.0978	2.1840	2.5840	3.1116		1.7505	2.5235	3.0928	2.5446	3.4630
H7	2.1184	1.0978	2.1840	2.5840	3.1116	1.7505		2.5235	2.5446	3.0928	3.4630
H8	3.4740	2.1672	1.0955	4.5262	3.9252	2.5235	2.5235		1.7767	1.7767	5.3015
H9	2.7927	2.1731	1.0945	4.0421	2.8190	3.0928	2.5446	1.7767		1.7653	4.5972
H10	2.7927	2.1731	1.0945	4.0421	2.8190	2.5446	3.0928	1.7767	1.7653		4.5972
H11	1.8750	3.1934	4.3983	0.9651	2.2818	3.4630	3.4630	5.3015	4.5972	4.5972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.594	C1	C2	H6	107.444
C1	C2	H7	107.444	C1	O4	H11	106.730
C2	C1	O4	111.272	C2	C1	O5	126.185
C2	C3	H8	110.419	C2	C3	H9	110.960
C2	C3	H10	110.960	C3	C2	H6	111.625
C3	C2	H7	111.625	O4	C1	O5	122.543
H6	C2	H7	105.743	H8	C3	H9	108.446
H8	C3	H10	108.446	H9	C3	H10	107.505

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

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

States and conformations

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