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	hartrees
Energy at 0K	-267.605299
Energy at 298.15K	-267.612524
HF Energy	-266.842823
Nuclear repulsion energy	178.055175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3694	3481	65.45
2	A'	3215	3029	16.01
3	A'	3126	2945	15.56
4	A'	3119	2939	7.31
5	A'	1853	1746	207.00
6	A'	1565	1475	10.76
7	A'	1530	1441	12.89
8	A'	1482	1396	4.30
9	A'	1460	1375	64.81
10	A'	1342	1265	4.12
11	A'	1200	1131	229.04
12	A'	1125	1060	75.53
13	A'	1048	988	1.84
14	A'	843	795	7.80
15	A'	620	584	20.69
16	A'	474	447	23.88
17	A'	258	243	2.47
18	A"	3224	3038	14.92
19	A"	3165	2982	3.16
20	A"	1560	1470	6.59
21	A"	1323	1246	0.01
22	A"	1149	1083	0.28
23	A"	838	789	16.60
24	A"	684	645	112.47
25	A"	531	500	20.79
26	A"	222	209	0.00
27	A"	55	52	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.566	0.000
C2	-0.606	-0.811	0.000
C3	0.448	-1.907	0.000
O4	-0.963	1.528	0.000
O5	1.189	0.829	0.000
H6	-1.263	-0.883	0.873
H7	-1.263	-0.883	-0.873
H8	-0.027	-2.891	0.000
H9	1.087	-1.830	-0.881
H10	1.087	-1.830	0.881
H11	-0.481	2.380	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5047	2.5132	1.3609	1.2178	2.1113	2.1113	3.4570	2.7744	2.7744	1.8768
C2	1.5047		1.5201	2.3660	2.4313	1.0954	1.0954	2.1586	2.1633	2.1633	3.1938
C3	2.5132	1.5201		3.7130	2.8341	2.1770	2.1770	1.0925	1.0913	1.0913	4.3865
O4	1.3609	2.3660	3.7130		2.2629	2.5812	2.5812	4.5165	4.0312	4.0312	0.9793
O5	1.2178	2.4313	2.8341	2.2629		3.1155	3.1155	3.9131	2.8021	2.8021	2.2798
H6	2.1113	1.0954	2.1770	2.5812	3.1155		1.7464	2.5146	3.0820	2.5342	3.4671
H7	2.1113	1.0954	2.1770	2.5812	3.1155	1.7464		2.5146	2.5342	3.0820	3.4671
H8	3.4570	2.1586	1.0925	4.5165	3.9131	2.5146	2.5146		1.7731	1.7731	5.2904
H9	2.7744	2.1633	1.0913	4.0312	2.8021	3.0820	2.5342	1.7731		1.7618	4.5779
H10	2.7744	2.1633	1.0913	4.0312	2.8021	2.5342	3.0820	1.7731	1.7618		4.5779
H11	1.8768	3.1938	4.3865	0.9793	2.2798	3.4671	3.4671	5.2904	4.5779	4.5779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.369	C1	C2	H6	107.545
C1	C2	H7	107.545	C1	O4	H11	105.475
C2	C1	O4	111.208	C2	C1	O5	126.194
C2	C3	H8	110.356	C2	C3	H9	110.800
C2	C3	H10	110.800	C3	C2	H6	111.655
C3	C2	H7	111.655	O4	C1	O5	122.599
H6	C2	H7	105.722	H8	C3	H9	108.572
H8	C3	H10	108.572	H9	C3	H10	107.653

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)