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	hartrees
Energy at 0K	-263.656138
Energy at 298.15K	-263.662874
HF Energy	-263.383462
Nuclear repulsion energy	172.618472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3851	3423	24.67
2	A'	3560	3164	1.63
3	A'	3405	3027	1.48
4	A'	3380	3004	2.39
5	A'	1861	1654	38.84
6	A'	1734	1541	2.04
7	A'	1698	1510	1.03
8	A'	1620	1440	1.50
9	A'	1566	1392	19.56
10	A'	1487	1322	5.24
11	A'	1275	1134	118.73
12	A'	1188	1056	38.99
13	A'	1105	982	1.47
14	A'	859	764	5.38
15	A'	580	516	12.93
16	A'	434	386	14.65
17	A'	227	201	0.38
18	A"	3561	3165	2.19
19	A"	3514	3124	0.65
20	A"	1729	1536	1.35
21	A"	1416	1259	0.11
22	A"	1210	1075	0.04
23	A"	875	777	4.68
24	A"	625	556	67.21
25	A"	515	458	3.48
26	A"	196	174	0.00
27	A"	34	30	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.581	0.000
C2	-0.616	-0.860	0.000
C3	0.489	-1.957	0.000
O4	-1.031	1.556	0.000
O5	1.217	0.896	0.000
H6	-1.264	-0.964	0.891
H7	-1.264	-0.964	-0.891
H8	0.033	-2.961	0.000
H9	1.130	-1.864	-0.893
H10	1.130	-1.864	0.893
H11	-0.492	2.421	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5664	2.5842	1.4190	1.2567	2.1859	2.1859	3.5420	2.8369	2.8369	1.9048
C2	1.5664		1.5574	2.4509	2.5376	1.1069	1.1069	2.1996	2.2032	2.2032	3.2827
C3	2.5842	1.5574		3.8275	2.9438	2.2035	2.2035	1.1032	1.1031	1.1031	4.4862
O4	1.4190	2.4509	3.8275		2.3422	2.6830	2.6830	4.6407	4.1423	4.1423	1.0188
O5	1.2567	2.5376	2.9438	2.3422		3.2262	3.2262	4.0345	2.9015	2.9015	2.2902
H6	2.1859	1.1069	2.2035	2.6830	3.2262		1.7818	2.5429	3.1186	2.5580	3.5842
H7	2.1859	1.1069	2.2035	2.6830	3.2262	1.7818		2.5429	2.5580	3.1186	3.5842
H8	3.5420	2.1996	1.1032	4.6407	4.0345	2.5429	2.5429		1.7905	1.7905	5.4075
H9	2.8369	2.2032	1.1031	4.1423	2.9015	3.1186	2.5580	1.7905		1.7860	4.6673
H10	2.8369	2.2032	1.1031	4.1423	2.9015	2.5580	3.1186	1.7905	1.7860		4.6673
H11	1.9048	3.2827	4.4862	1.0188	2.2902	3.5842	3.5842	5.4075	4.6673	4.6673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.636	C1	C2	H6	108.488
C1	C2	H7	108.488	C1	O4	H11	101.507
C2	C1	O4	110.265	C2	C1	O5	127.680
C2	C3	H8	110.362	C2	C3	H9	110.650
C2	C3	H10	110.650	C3	C2	H6	110.450
C3	C2	H7	110.450	O4	C1	O5	122.055
H6	C2	H7	107.192	H8	C3	H9	108.498
H8	C3	H10	108.498	H9	C3	H10	108.107

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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