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	hartrees
Energy at 0K	-267.679513
Energy at 298.15K	-267.686711
HF Energy	-266.865741
Nuclear repulsion energy	178.106219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3863	3640	68.01
2	A'	3208	3023	22.01
3	A'	3126	2946	4.26
4	A'	3123	2943	26.95
5	A'	1882	1773	301.41
6	A'	1551	1462	9.96
7	A'	1521	1433	9.46
8	A'	1481	1396	8.88
9	A'	1459	1375	61.17
10	A'	1341	1264	8.38
11	A'	1211	1141	254.46
12	A'	1124	1059	64.87
13	A'	1043	983	1.15
14	A'	844	796	6.22
15	A'	625	589	22.92
16	A'	475	447	21.76
17	A'	255	240	2.38
18	A"	3217	3031	22.57
19	A"	3168	2985	3.54
20	A"	1543	1454	6.10
21	A"	1315	1239	0.01
22	A"	1145	1079	0.50
23	A"	832	784	10.76
24	A"	645	608	103.66
25	A"	524	493	32.41
26	A"	218	206	0.00
27	A"	46	43	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.570	0.000
C2	-0.600	-0.814	0.000
C3	0.452	-1.916	0.000
O4	-0.962	1.529	0.000
O5	1.182	0.837	0.000
H6	-1.254	-0.883	0.872
H7	-1.254	-0.883	-0.872
H8	-0.031	-2.893	0.000
H9	1.090	-1.845	-0.880
H10	1.090	-1.845	0.880
H11	-0.509	2.384	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5089	2.5273	1.3583	1.2114	2.1086	2.1086	3.4634	2.7919	2.7919	1.8841
C2	1.5089		1.5238	2.3712	2.4293	1.0925	1.0925	2.1553	2.1661	2.1661	3.1999
C3	2.5273	1.5238		3.7245	2.8485	2.1770	2.1770	1.0899	1.0890	1.0890	4.4067
O4	1.3583	2.3712	3.7245		2.2525	2.5820	2.5820	4.5192	4.0458	4.0458	0.9678
O5	1.2114	2.4293	2.8485	2.2525		3.1070	3.1070	3.9226	2.8244	2.8244	2.2914
H6	2.1086	1.0925	2.1770	2.5820	3.1070		1.7448	2.5091	3.0804	2.5333	3.4633
H7	2.1086	1.0925	2.1770	2.5820	3.1070	1.7448		2.5091	2.5333	3.0804	3.4633
H8	3.4634	2.1553	1.0899	4.5192	3.9226	2.5091	2.5091		1.7691	1.7691	5.2990
H9	2.7919	2.1661	1.0890	4.0458	2.8244	3.0804	2.5333	1.7691		1.7601	4.6061
H10	2.7919	2.1661	1.0890	4.0458	2.8244	2.5333	3.0804	1.7691	1.7601		4.6061
H11	1.8841	3.1999	4.4067	0.9678	2.2914	3.4633	3.4633	5.2990	4.6061	4.6061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.888	C1	C2	H6	107.222
C1	C2	H7	107.222	C1	O4	H11	106.984
C2	C1	O4	111.478	C2	C1	O5	126.170
C2	C3	H8	109.985	C2	C3	H9	110.907
C2	C3	H10	110.907	C3	C2	H6	111.572
C3	C2	H7	111.572	O4	C1	O5	122.353
H6	C2	H7	105.984	H8	C3	H9	108.566
H8	C3	H10	108.566	H9	C3	H10	107.829

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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