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	hartrees
Energy at 0K	-267.947869
Energy at 298.15K	-267.955065
HF Energy	-266.953595
Nuclear repulsion energy	178.593530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3751	3574	75.02
2	A'	3177	3027	13.59
3	A'	3090	2945	12.40
4	A'	3087	2942	10.88
5	A'	1805	1720	248.27
6	A'	1522	1450	9.30
7	A'	1476	1407	14.44
8	A'	1430	1363	2.78
9	A'	1415	1349	62.48
10	A'	1304	1243	6.54
11	A'	1168	1113	212.48
12	A'	1100	1048	100.44
13	A'	1026	978	1.35
14	A'	829	790	6.82
15	A'	612	584	17.43
16	A'	469	447	19.93
17	A'	251	240	2.56
18	A"	3181	3031	13.26
19	A"	3134	2986	1.13
20	A"	1516	1445	7.16
21	A"	1297	1236	0.04
22	A"	1119	1066	0.11
23	A"	815	777	11.80
24	A"	650	619	83.43
25	A"	524	499	23.28
26	A"	220	210	0.01
27	A"	56	53	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.566	0.000
C2	-0.603	-0.811	0.000
C3	0.450	-1.904	0.000
O4	-0.961	1.525	0.000
O5	1.182	0.827	0.000
H6	-1.257	-0.878	0.871
H7	-1.257	-0.878	-0.871
H8	-0.023	-2.885	0.000
H9	1.088	-1.826	-0.878
H10	1.088	-1.826	0.878
H11	-0.488	2.372	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5026	2.5106	1.3577	1.2104	2.1033	2.1033	3.4502	2.7703	2.7703	1.8712
C2	1.5026		1.5183	2.3628	2.4226	1.0913	1.0913	2.1536	2.1589	2.1589	3.1847
C3	2.5106	1.5183		3.7081	2.8279	2.1740	2.1740	1.0883	1.0878	1.0878	4.3780
O4	1.3577	2.3628	3.7081		2.2533	2.5732	2.5732	4.5081	4.0245	4.0245	0.9699
O5	1.2104	2.4226	2.8279	2.2533		3.1010	3.1010	3.9024	2.7966	2.7966	2.2749
H6	2.1033	1.0913	2.1740	2.5732	3.1010		1.7418	2.5115	3.0749	2.5292	3.4516
H7	2.1033	1.0913	2.1740	2.5732	3.1010	1.7418		2.5115	2.5292	3.0749	3.4516
H8	3.4502	2.1536	1.0883	4.5081	3.9024	2.5115	2.5115		1.7674	1.7674	5.2771
H9	2.7703	2.1589	1.0878	4.0245	2.7966	3.0749	2.5292	1.7674		1.7560	4.5693
H10	2.7703	2.1589	1.0878	4.0245	2.7966	2.5292	3.0749	1.7674	1.7560		4.5693
H11	1.8712	3.1847	4.3780	0.9699	2.2749	3.4516	3.4516	5.2771	4.5693	4.5693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.415	C1	C2	H6	107.296
C1	C2	H7	107.296	C1	O4	H11	105.804
C2	C1	O4	111.292	C2	C1	O5	126.151
C2	C3	H8	110.326	C2	C3	H9	110.780
C2	C3	H10	110.780	C3	C2	H6	111.788
C3	C2	H7	111.788	O4	C1	O5	122.557
H6	C2	H7	105.889	H8	C3	H9	108.621
H8	C3	H10	108.621	H9	C3	H10	107.627

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

using model chemistry: MP2/aug-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/aug-cc-pVTZ

States and conformations

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