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	hartrees
Energy at 0K	-268.255019
Energy at 298.15K	-268.262193
HF Energy	-267.952828
Nuclear repulsion energy	178.356187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3790	3790	58.73
2	A'	3146	3146	23.22
3	A'	3072	3072	15.32
4	A'	3070	3070	16.14
5	A'	1826	1826	250.41
6	A'	1518	1518	11.04
7	A'	1478	1478	13.20
8	A'	1438	1438	4.17
9	A'	1422	1422	54.81
10	A'	1322	1322	0.65
11	A'	1180	1180	241.49
12	A'	1097	1097	71.02
13	A'	1023	1023	1.43
14	A'	826	826	9.93
15	A'	619	619	20.47
16	A'	471	471	20.42
17	A'	254	254	2.53
18	A"	3152	3152	24.52
19	A"	3103	3103	4.10
20	A"	1511	1511	7.56
21	A"	1294	1294	0.02
22	A"	1123	1123	0.34
23	A"	822	822	16.15
24	A"	663	663	90.60
25	A"	521	521	24.92
26	A"	215	215	0.00
27	A"	44	44	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.571	0.000
C2	-0.600	-0.814	0.000
C3	0.455	-1.913	0.000
O4	-0.964	1.525	0.000
O5	1.177	0.837	0.000
H6	-1.256	-0.885	0.872
H7	-1.256	-0.885	-0.872
H8	-0.019	-2.896	0.000
H9	1.095	-1.837	-0.879
H10	1.095	-1.837	0.879
H11	-0.498	2.373	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5092	2.5259	1.3558	1.2063	2.1114	2.1114	3.4673	2.7883	2.7883	1.8689
C2	1.5092		1.5236	2.3670	2.4248	1.0938	1.0938	2.1616	2.1666	2.1666	3.1879
C3	2.5259	1.5236		3.7195	2.8432	2.1786	2.1786	1.0912	1.0904	1.0904	4.3905
O4	1.3558	2.3670	3.7195		2.2482	2.5794	2.5794	4.5208	4.0397	4.0397	0.9669
O5	1.2063	2.4248	2.8432	2.2482		3.1052	3.1052	3.9197	2.8163	2.8163	2.2722
H6	2.1114	1.0938	2.1786	2.5794	3.1052		1.7439	2.5169	3.0828	2.5371	3.4561
H7	2.1114	1.0938	2.1786	2.5794	3.1052	1.7439		2.5169	2.5371	3.0828	3.4561
H8	3.4673	2.1616	1.0912	4.5208	3.9197	2.5169	2.5169		1.7709	1.7709	5.2902
H9	2.7883	2.1666	1.0904	4.0397	2.8163	3.0828	2.5371	1.7709		1.7585	4.5865
H10	2.7883	2.1666	1.0904	4.0397	2.8163	2.5371	3.0828	1.7709	1.7585		4.5865
H11	1.8689	3.1879	4.3905	0.9669	2.2722	3.4561	3.4561	5.2902	4.5865	4.5865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.787	C1	C2	H6	107.339
C1	C2	H7	107.339	C1	O4	H11	105.926
C2	C1	O4	111.302	C2	C1	O5	126.127
C2	C3	H8	110.429	C2	C3	H9	110.874
C2	C3	H10	110.874	C3	C2	H6	111.631
C3	C2	H7	111.631	O4	C1	O5	122.572
H6	C2	H7	105.727	H8	C3	H9	108.539
H8	C3	H10	108.539	H9	C3	H10	107.488

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3CH2COOH (Propanoic Acid)

using model chemistry: B2PLYP=FULL/6-311G**

States and conformations

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