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	hartrees
Energy at 0K	-267.636440
Energy at 298.15K	-267.643655
HF Energy	-266.857529
Nuclear repulsion energy	178.127525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3815	3572	60.60
2	A'	3242	3036	17.65
3	A'	3147	2947	16.46
4	A'	3144	2944	8.74
5	A'	1849	1732	204.22
6	A'	1561	1462	8.90
7	A'	1521	1424	10.73
8	A'	1475	1381	7.45
9	A'	1454	1362	58.73
10	A'	1334	1250	8.26
11	A'	1195	1119	216.72
12	A'	1120	1049	82.08
13	A'	1043	977	1.66
14	A'	841	788	7.49
15	A'	617	577	21.05
16	A'	472	442	23.06
17	A'	256	240	2.40
18	A"	3250	3044	17.09
19	A"	3194	2991	3.88
20	A"	1555	1457	5.13
21	A"	1320	1236	0.00
22	A"	1143	1070	0.31
23	A"	831	778	13.94
24	A"	677	634	109.12
25	A"	526	493	18.63
26	A"	222	208	0.00
27	A"	52	49	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.567	0.000
C2	-0.606	-0.812	0.000
C3	0.448	-1.907	0.000
O4	-0.964	1.528	0.000
O5	1.190	0.828	0.000
H6	-1.260	-0.882	0.871
H7	-1.260	-0.882	-0.871
H8	-0.025	-2.888	0.000
H9	1.084	-1.828	-0.878
H10	1.084	-1.828	0.878
H11	-0.485	2.373	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5065	2.5145	1.3614	1.2183	2.1088	2.1088	3.4548	2.7721	2.7721	1.8705
C2	1.5065		1.5199	2.3679	2.4322	1.0914	1.0914	2.1554	2.1590	2.1590	3.1880
C3	2.5145	1.5199		3.7145	2.8341	2.1740	2.1740	1.0883	1.0874	1.0874	4.3813
O4	1.3614	2.3679	3.7145		2.2649	2.5803	2.5803	4.5150	4.0292	4.0292	0.9711
O5	1.2183	2.4322	2.8341	2.2649		3.1123	3.1123	3.9091	2.7995	2.7995	2.2794
H6	2.1088	1.0914	2.1740	2.5803	3.1123		1.7418	2.5113	3.0742	2.5283	3.4582
H7	2.1088	1.0914	2.1740	2.5803	3.1123	1.7418		2.5113	2.5283	3.0742	3.4582
H8	3.4548	2.1554	1.0883	4.5150	3.9091	2.5113	2.5113		1.7673	1.7673	5.2813
H9	2.7721	2.1590	1.0874	4.0292	2.7995	3.0742	2.5283	1.7673		1.7561	4.5705
H10	2.7721	2.1590	1.0874	4.0292	2.7995	2.5283	3.0742	1.7673	1.7561		4.5705
H11	1.8705	3.1880	4.3813	0.9711	2.2794	3.4582	3.4582	5.2813	4.5705	4.5705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.378	C1	C2	H6	107.452
C1	C2	H7	107.452	C1	O4	H11	105.405
C2	C1	O4	111.210	C2	C1	O5	126.084
C2	C3	H8	110.370	C2	C3	H9	110.707
C2	C3	H10	110.707	C3	C2	H6	111.673
C3	C2	H7	111.673	O4	C1	O5	122.706
H6	C2	H7	105.863	H8	C3	H9	108.642
H8	C3	H10	108.642	H9	C3	H10	107.692

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

using model chemistry: MP2/6-31G**

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

using model chemistry: MP2/6-31G**

States and conformations

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