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	hartrees
Energy at 0K	-268.197376
Energy at 298.15K	-268.204536
HF Energy	-268.197376
Nuclear repulsion energy	178.988163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3811	3660	61.48
2	A'	3145	3020	20.55
3	A'	3066	2945	18.62
4	A'	3062	2941	11.84
5	A'	1864	1790	285.52
6	A'	1499	1439	16.00
7	A'	1455	1398	17.03
8	A'	1430	1373	41.43
9	A'	1412	1356	36.77
10	A'	1316	1263	0.09
11	A'	1189	1142	252.83
12	A'	1100	1057	43.84
13	A'	1021	981	3.58
14	A'	834	801	13.69
15	A'	624	599	21.18
16	A'	473	454	20.64
17	A'	251	241	2.94
18	A"	3147	3023	21.25
19	A"	3095	2973	3.33
20	A"	1490	1431	8.96
21	A"	1280	1229	0.10
22	A"	1109	1066	0.40
23	A"	817	785	22.14
24	A"	669	643	88.63
25	A"	523	502	24.79
26	A"	204	196	0.01
27	A"	44	42	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.570	0.000
C2	-0.598	-0.809	0.000
C3	0.449	-1.907	0.000
O4	-0.954	1.522	0.000
O5	1.173	0.831	0.000
H6	-1.259	-0.877	0.871
H7	-1.259	-0.877	-0.871
H8	-0.026	-2.891	0.000
H9	1.092	-1.834	-0.879
H10	1.092	-1.834	0.879
H11	-0.490	2.368	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5031	2.5174	1.3476	1.2014	2.1064	2.1064	3.4607	2.7830	2.7830	1.8639
C2	1.5031		1.5168	2.3577	2.4137	1.0955	1.0955	2.1586	2.1630	2.1630	3.1793
C3	2.5174	1.5168		3.7045	2.8327	2.1762	2.1762	1.0922	1.0917	1.0917	4.3772
O4	1.3476	2.3577	3.7045		2.2359	2.5698	2.5698	4.5088	4.0274	4.0274	0.9658
O5	1.2014	2.4137	2.8327	2.2359		3.0967	3.0967	3.9104	2.8082	2.8082	2.2639
H6	2.1064	1.0955	2.1762	2.5698	3.0967		1.7419	2.5167	3.0830	2.5381	3.4469
H7	2.1064	1.0955	2.1762	2.5698	3.0967	1.7419		2.5167	2.5381	3.0830	3.4469
H8	3.4607	2.1586	1.0922	4.5088	3.9104	2.5167	2.5167		1.7716	1.7716	5.2794
H9	2.7830	2.1630	1.0917	4.0274	2.8082	3.0830	2.5381	1.7716		1.7585	4.5755
H10	2.7830	2.1630	1.0917	4.0274	2.8082	2.5381	3.0830	1.7716	1.7585		4.5755
H11	1.8639	3.1793	4.3772	0.9658	2.2639	3.4469	3.4469	5.2794	4.5755	4.5755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.935	C1	C2	H6	107.263
C1	C2	H7	107.263	C1	O4	H11	106.178
C2	C1	O4	111.482	C2	C1	O5	126.013
C2	C3	H8	110.605	C2	C3	H9	110.980
C2	C3	H10	110.980	C3	C2	H6	111.813
C3	C2	H7	111.813	O4	C1	O5	122.505
H6	C2	H7	105.311	H8	C3	H9	108.431
H8	C3	H10	108.431	H9	C3	H10	107.296

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

using model chemistry: HSEh1PBE/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	0.363
2	C	-0.331
3	C	-0.329
4	O	-0.331
5	O	-0.342
6	H	0.161
7	H	0.161
8	H	0.124
9	H	0.136
10	H	0.136
11	H	0.253

	x	y	z	Total
	-1.497	-0.237	0.000	1.516
CHELPG
AIM
ESP

	x	y	z
x	6.158	-0.144	0.000
y	-0.144	6.753	0.000
z	0.000	0.000	4.482

<r²>	123.049
(<r²>)^1/2	11.093

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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