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	hartrees
Energy at 0K	-266.909165
Energy at 298.15K	-266.916624
HF Energy	-266.909165
Nuclear repulsion energy	180.068122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4125	3730	82.14
2	A'	3258	2947	44.46
3	A'	3207	2901	8.36
4	A'	3196	2891	40.52
5	A'	2016	1823	402.14
6	A'	1635	1479	14.98
7	A'	1601	1448	12.61
8	A'	1571	1420	23.00
9	A'	1544	1396	49.67
10	A'	1440	1303	1.42
11	A'	1311	1185	335.13
12	A'	1183	1070	36.73
13	A'	1078	975	1.26
14	A'	885	801	10.62
15	A'	673	609	33.95
16	A'	503	454	22.11
17	A'	270	244	2.92
18	A"	3272	2959	49.50
19	A"	3232	2923	6.26
20	A"	1628	1473	6.28
21	A"	1403	1269	0.16
22	A"	1222	1105	2.58
23	A"	887	802	27.11
24	A"	716	648	133.05
25	A"	566	512	29.39
26	A"	235	213	0.00
27	A"	63	57	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.575	0.000
C2	-0.592	-0.809	0.000
C3	0.458	-1.911	0.000
O4	-0.944	1.513	0.000
O5	1.152	0.842	0.000
H6	-1.244	-0.880	0.865
H7	-1.244	-0.880	-0.865
H8	-0.021	-2.884	0.000
H9	1.094	-1.846	-0.873
H10	1.094	-1.846	0.873
H11	-0.530	2.362	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5058	2.5280	1.3306	1.1820	2.1016	2.1016	3.4594	2.7971	2.7971	1.8635
C2	1.5058		1.5220	2.3485	2.4013	1.0856	1.0856	2.1524	2.1640	2.1640	3.1714
C3	2.5280	1.5220		3.6997	2.8388	2.1694	2.1694	1.0842	1.0828	1.0828	4.3854
O4	1.3306	2.3485	3.6997		2.2005	2.5628	2.5628	4.4930	4.0250	4.0250	0.9441
O5	1.1820	2.4013	2.8388	2.2005		3.0750	3.0750	3.9058	2.8268	2.8268	2.2671
H6	2.1016	1.0856	2.1694	2.5628	3.0750		1.7299	2.5019	3.0698	2.5301	3.4308
H7	2.1016	1.0856	2.1694	2.5628	3.0750	1.7299		2.5019	2.5301	3.0698	3.4308
H8	3.4594	2.1524	1.0842	4.4930	3.9058	2.5019	2.5019		1.7558	1.7558	5.2705
H9	2.7971	2.1640	1.0828	4.0250	2.8268	3.0698	2.5301	1.7558		1.7469	4.5944
H10	2.7971	2.1640	1.0828	4.0250	2.8268	2.5301	3.0698	1.7558	1.7469		4.5944
H11	1.8635	3.1714	4.3854	0.9441	2.2671	3.4308	3.4308	5.2705	4.5944	4.5944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.217	C1	C2	H6	107.273
C1	C2	H7	107.273	C1	O4	H11	108.830
C2	C1	O4	111.641	C2	C1	O5	126.191
C2	C3	H8	110.218	C2	C3	H9	111.240
C2	C3	H10	111.240	C3	C2	H6	111.506
C3	C2	H7	111.506	O4	C1	O5	122.168
H6	C2	H7	105.649	H8	C3	H9	108.239
H8	C3	H10	108.239	H9	C3	H10	107.542

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

using model chemistry: HF/6-311G*

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	0.610
2	C	-0.520
3	C	-0.601
4	O	-0.621
5	O	-0.448
6	H	0.243
7	H	0.243
8	H	0.212
9	H	0.222
10	H	0.222
11	H	0.437

	x	y	z	Total
	-1.614	-0.300	0.000	1.642
CHELPG
AIM
ESP

	x	y	z
x	5.655	-0.059	0.000
y	-0.059	5.867	0.000
z	0.000	0.000	4.185

<r²>	122.745
(<r²>)^1/2	11.079

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

using model chemistry: HF/6-311G*

States and conformations

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