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	hartrees
Energy at 0K	-268.211243
Energy at 298.15K	-268.204474
HF Energy	-266.846548
Nuclear repulsion energy	179.785186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4056	3821	108.78
2	A'	3287	3097	34.78
3	A'	3226	3039	6.92
4	A'	3220	3034	34.90
5	A'	2034	1917	375.12
6	A'	1645	1550	13.66
7	A'	1613	1520	11.18
8	A'	1582	1491	23.71
9	A'	1557	1467	52.79
10	A'	1443	1359	5.30
11	A'	1314	1238	314.12
12	A'	1189	1120	33.48
13	A'	1084	1022	1.19
14	A'	889	838	10.21
15	A'	670	632	34.38
16	A'	502	473	21.80
17	A'	270	254	3.10
18	A"	3301	3110	35.08
19	A"	3254	3066	6.54
20	A"	1639	1544	4.52
21	A"	1406	1325	0.12
22	A"	1225	1154	2.58
23	A"	889	837	24.94
24	A"	707	666	125.93
25	A"	561	529	28.86
26	A"	234	220	0.00
27	A"	64	60	0.00

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	112.995	C1	C2	H6	107.129
C1	C2	H7	107.129	C1	O4	H11	107.594
C2	C1	O4	112.136	C2	C1	O5	126.428
C2	C3	H8	110.063	C2	C3	H9	111.112
C2	C3	H10	111.112	C3	C2	H6	111.692
C3	C2	H7	111.692	O4	C1	O5	121.436
H6	C2	H7	105.788	H8	C3	H9	108.399
H8	C3	H10	108.399	H9	C3	H10	107.654

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

using model chemistry: G3

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: G3

States and conformations

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