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	hartrees
Energy at 0K	-268.130614
Energy at 298.15K	-268.137754
HF Energy	-268.130614
Nuclear repulsion energy	178.707277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3813	3639	55.56
2	A'	3169	3025	18.23
3	A'	3084	2943	17.95
4	A'	3077	2936	10.83
5	A'	1881	1795	263.92
6	A'	1511	1442	15.26
7	A'	1468	1401	16.10
8	A'	1444	1378	47.23
9	A'	1423	1358	32.82
10	A'	1321	1260	1.11
11	A'	1198	1143	242.96
12	A'	1106	1055	35.08
13	A'	1023	976	4.01
14	A'	836	798	13.77
15	A'	620	591	22.13
16	A'	471	450	21.49
17	A'	250	239	3.11
18	A"	3173	3028	17.33
19	A"	3115	2973	3.68
20	A"	1504	1435	6.86
21	A"	1284	1225	0.09
22	A"	1111	1060	0.46
23	A"	818	780	23.83
24	A"	678	647	95.11
25	A"	522	498	21.68
26	A"	205	196	0.01
27	A"	42	40	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.570	0.000
C2	-0.605	-0.808	0.000
C3	0.441	-1.908	0.000
O4	-0.949	1.528	0.000
O5	1.180	0.825	0.000
H6	-1.267	-0.876	0.872
H7	-1.267	-0.876	-0.872
H8	-0.034	-2.892	0.000
H9	1.085	-1.835	-0.880
H10	1.085	-1.835	0.880
H11	-0.472	2.371	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5051	2.5166	1.3486	1.2077	2.1109	2.1109	3.4619	2.7806	2.7806	1.8627
C2	1.5051		1.5179	2.3617	2.4199	1.0967	1.0967	2.1604	2.1640	2.1640	3.1827
C3	2.5166	1.5179		3.7066	2.8311	2.1779	2.1779	1.0930	1.0926	1.0926	4.3759
O4	1.3486	2.3617	3.7066		2.2421	2.5773	2.5773	4.5138	4.0271	4.0271	0.9686
O5	1.2077	2.4199	2.8311	2.2421		3.1055	3.1055	3.9105	2.8030	2.8030	2.2633
H6	2.1109	1.0967	2.1779	2.5773	3.1055		1.7432	2.5186	3.0852	2.5398	3.4553
H7	2.1109	1.0967	2.1779	2.5773	3.1055	1.7432		2.5186	2.5398	3.0852	3.4553
H8	3.4619	2.1604	1.0930	4.5138	3.9105	2.5186	2.5186		1.7733	1.7733	5.2817
H9	2.7806	2.1640	1.0926	4.0271	2.8030	3.0852	2.5398	1.7733		1.7599	4.5706
H10	2.7806	2.1640	1.0926	4.0271	2.8030	2.5398	3.0852	1.7733	1.7599		4.5706
H11	1.8627	3.1827	4.3759	0.9686	2.2633	3.4553	3.4553	5.2817	4.5706	4.5706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.715	C1	C2	H6	107.416
C1	C2	H7	107.416	C1	O4	H11	105.836
C2	C1	O4	111.594	C2	C1	O5	125.911
C2	C3	H8	110.627	C2	C3	H9	110.940
C2	C3	H10	110.940	C3	C2	H6	111.803
C3	C2	H7	111.803	O4	C1	O5	122.494
H6	C2	H7	105.270	H8	C3	H9	108.463
H8	C3	H10	108.463	H9	C3	H10	107.292

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

using model chemistry: HSEh1PBE/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	0.581
2	C	-0.330
3	C	-0.385
4	O	-0.498
5	O	-0.466
6	H	0.167
7	H	0.167
8	H	0.129
9	H	0.150
10	H	0.150
11	H	0.334

	x	y	z	Total
	-1.481	-0.203	0.000	1.495
CHELPG
AIM
ESP

	x	y	z
x	5.848	-0.086	0.000
y	-0.086	6.381	0.000
z	0.000	0.000	4.195

<r²>	122.953
(<r²>)^1/2	11.088

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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