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	hartrees
Energy at 0K	-266.721084
Energy at 298.15K	-266.728518
HF Energy	-266.721084
Nuclear repulsion energy	178.511215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3993	3605	94.17
2	A'	3281	2962	28.53
3	A'	3215	2903	3.01
4	A'	3208	2897	32.32
5	A'	1919	1733	317.00
6	A'	1656	1495	12.21
7	A'	1626	1468	21.54
8	A'	1592	1437	7.95
9	A'	1555	1404	65.08
10	A'	1432	1293	28.12
11	A'	1263	1140	251.41
12	A'	1198	1082	97.57
13	A'	1103	996	10.12
14	A'	882	796	4.14
15	A'	662	597	33.08
16	A'	500	452	30.90
17	A'	274	247	3.30
18	A"	3293	2973	29.18
19	A"	3248	2933	2.47
20	A"	1652	1491	7.42
21	A"	1417	1279	0.30
22	A"	1249	1127	1.67
23	A"	904	816	25.49
24	A"	690	623	193.65
25	A"	567	512	44.01
26	A"	220	199	0.01
27	A"	66	60	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.563	0.000
C2	-0.596	-0.809	0.000
C3	0.451	-1.917	0.000
O4	-0.952	1.527	0.000
O5	1.180	0.838	0.000
H6	-1.246	-0.881	0.865
H7	-1.246	-0.881	-0.865
H8	-0.032	-2.886	0.000
H9	1.088	-1.854	-0.873
H10	1.088	-1.854	0.873
H11	-0.601	2.415	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.4962	2.5210	1.3550	1.2113	2.0943	2.0943	3.4494	2.7903	2.7903	1.9466
C2	1.4962		1.5246	2.3634	2.4223	1.0848	1.0848	2.1520	2.1651	2.1651	3.2239
C3	2.5210	1.5246		3.7193	2.8502	2.1690	2.1690	1.0830	1.0820	1.0820	4.4578
O4	1.3550	2.3634	3.7193		2.2403	2.5754	2.5754	4.5081	4.0439	4.0439	0.9545
O5	1.2113	2.4223	2.8502	2.2403		3.0965	3.0965	3.9168	2.8316	2.8316	2.3780
H6	2.0943	1.0848	2.1690	2.5754	3.0965		1.7309	2.4989	3.0684	2.5285	3.4676
H7	2.0943	1.0848	2.1690	2.5754	3.0965	1.7309		2.4989	2.5285	3.0684	3.4676
H8	3.4494	2.1520	1.0830	4.5081	3.9168	2.4989	2.4989		1.7556	1.7556	5.3312
H9	2.7903	2.1651	1.0820	4.0439	2.8316	3.0684	2.5285	1.7556		1.7456	4.6725
H10	2.7903	2.1651	1.0820	4.0439	2.8316	2.5285	3.0684	1.7556	1.7456		4.6725
H11	1.9466	3.2239	4.4578	0.9545	2.3780	3.4676	3.4676	5.3312	4.6725	4.6725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.134	C1	C2	H6	107.404
C1	C2	H7	107.404	C1	O4	H11	113.763
C2	C1	O4	111.877	C2	C1	O5	126.615
C2	C3	H8	110.086	C2	C3	H9	111.186
C2	C3	H10	111.186	C3	C2	H6	111.339
C3	C2	H7	111.339	O4	C1	O5	121.508
H6	C2	H7	105.843	H8	C3	H9	108.366
H8	C3	H10	108.366	H9	C3	H10	107.543

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.751
2	C	-0.394
3	C	-0.444
4	O	-0.733
5	O	-0.555
6	H	0.211
7	H	0.211
8	H	0.159
9	H	0.178
10	H	0.178
11	H	0.438

	x	y	z	Total
	-1.736	-0.528	0.000	1.814
CHELPG
AIM
ESP

	x	y	z
x	5.543	-0.014	0.000
y	-0.014	5.499	0.000
z	0.000	0.000	3.784

<r²>	124.362
(<r²>)^1/2	11.152

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

using model chemistry: HF/6-31G

States and conformations

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