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	hartrees
Energy at 0K	-267.740504
Energy at 298.15K	-267.747698
HF Energy	-266.887753
Nuclear repulsion energy	177.440195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3812	3677	67.49
2	A'	3143	3032	21.62
3	A'	3067	2958	6.76
4	A'	3062	2953	23.30
5	A'	1854	1789	286.74
6	A'	1497	1444	12.64
7	A'	1464	1412	9.65
8	A'	1436	1385	38.04
9	A'	1413	1362	25.38
10	A'	1327	1280	0.70
11	A'	1191	1149	260.11
12	A'	1101	1062	52.47
13	A'	1021	985	1.15
14	A'	832	802	5.49
15	A'	617	595	21.53
16	A'	468	451	19.39
17	A'	251	242	2.61
18	A"	3149	3037	23.13
19	A"	3107	2997	3.26
20	A"	1489	1436	5.69
21	A"	1284	1239	0.03
22	A"	1114	1075	0.39
23	A"	810	781	11.00
24	A"	646	623	89.89
25	A"	527	508	22.94
26	A"	219	211	0.01
27	A"	55	53	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.573	0.000
C2	-0.604	-0.817	0.000
C3	0.457	-1.923	0.000
O4	-0.964	1.536	0.000
O5	1.182	0.838	0.000
H6	-1.264	-0.887	0.882
H7	-1.264	-0.887	-0.882
H8	-0.028	-2.913	0.000
H9	1.102	-1.848	-0.890
H10	1.102	-1.848	0.890
H11	-0.503	2.387	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5157	2.5376	1.3622	1.2109	2.1233	2.1233	3.4862	2.8048	2.8048	1.8825
C2	1.5157		1.5319	2.3800	2.4344	1.1041	1.1041	2.1733	2.1821	2.1821	3.2059
C3	2.5376	1.5319		3.7388	2.8546	2.1938	2.1938	1.1022	1.1015	1.1015	4.4157
O4	1.3622	2.3800	3.7388		2.2563	2.5951	2.5951	4.5456	4.0627	4.0627	0.9686
O5	1.2109	2.4344	2.8546	2.2563		3.1203	3.1203	3.9411	2.8307	2.8307	2.2888
H6	2.1233	1.1041	2.1938	2.5951	3.1203		1.7633	2.5318	3.1080	2.5537	3.4751
H7	2.1233	1.1041	2.1938	2.5951	3.1203	1.7633		2.5318	2.5537	3.1080	3.4751
H8	3.4862	2.1733	1.1022	4.5456	3.9411	2.5318	2.5318		1.7894	1.7894	5.3213
H9	2.8048	2.1821	1.1015	4.0627	2.8307	3.1080	2.5537	1.7894		1.7797	4.6156
H10	2.8048	2.1821	1.1015	4.0627	2.8307	2.5537	3.1080	1.7894	1.7797		4.6156
H11	1.8825	3.2059	4.4157	0.9686	2.2888	3.4751	3.4751	5.3213	4.6156	4.6156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.742	C1	C2	H6	107.239
C1	C2	H7	107.239	C1	O4	H11	106.512
C2	C1	O4	111.469	C2	C1	O5	126.098
C2	C3	H8	110.115	C2	C3	H9	110.855
C2	C3	H10	110.855	C3	C2	H6	111.631
C3	C2	H7	111.631	O4	C1	O5	122.433
H6	C2	H7	105.981	H8	C3	H9	108.583
H8	C3	H10	108.583	H9	C3	H10	107.770

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

using model chemistry: CCD/aug-cc-pVDZ

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: CCD/aug-cc-pVDZ

States and conformations

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