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	hartrees
Energy at 0K	-267.643687
Energy at 298.15K
HF Energy	-266.842131
Nuclear repulsion energy	177.473761

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.569	0.000
C2	-0.609	-0.815	0.000
C3	0.450	-1.915	0.000
O4	-0.964	1.535	0.000
O5	1.190	0.832	0.000
H6	-1.268	-0.887	0.878
H7	-1.268	-0.887	-0.878
H8	-0.028	-2.903	0.000
H9	1.093	-1.838	-0.885
H10	1.093	-1.838	0.885
H11	-0.480	2.387	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5124	2.5253	1.3642	1.2185	2.1211	2.1211	3.4727	2.7876	2.7876	1.8796
C2	1.5124		1.5272	2.3767	2.4387	1.1001	1.1001	2.1672	2.1732	2.1732	3.2045
C3	2.5253	1.5272		3.7289	2.8449	2.1868	2.1868	1.0976	1.0963	1.0963	4.4016
O4	1.3642	2.3767	3.7289		2.2656	2.5937	2.5937	4.5356	4.0479	4.0479	0.9798
O5	1.2185	2.4387	2.8449	2.2656		3.1250	3.1250	3.9285	2.8139	2.8139	2.2816
H6	2.1211	1.1001	2.1868	2.5937	3.1250		1.7551	2.5246	3.0958	2.5450	3.4796
H7	2.1211	1.1001	2.1868	2.5937	3.1250	1.7551		2.5246	2.5450	3.0958	3.4796
H8	3.4727	2.1672	1.0976	4.5356	3.9285	2.5246	2.5246		1.7818	1.7818	5.3092
H9	2.7876	2.1732	1.0963	4.0479	2.8139	3.0958	2.5450	1.7818		1.7704	4.5935
H10	2.7876	2.1732	1.0963	4.0479	2.8139	2.5450	3.0958	1.7818	1.7704		4.5935
H11	1.8796	3.2045	4.4016	0.9798	2.2816	3.4796	3.4796	5.3092	4.5935	4.5935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.361	C1	C2	H6	107.510
C1	C2	H7	107.510	C1	O4	H11	105.440
C2	C1	O4	111.318	C2	C1	O5	126.163
C2	C3	H8	110.239	C2	C3	H9	110.795
C2	C3	H10	110.795	C3	C2	H6	111.648
C3	C2	H7	111.648	O4	C1	O5	122.518
H6	C2	H7	105.819	H8	C3	H9	108.618
H8	C3	H10	108.618	H9	C3	H10	107.693

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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