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	hartrees
Energy at 0K	-267.951915
Energy at 298.15K
HF Energy	-266.951594
Nuclear repulsion energy	178.889218

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.570	0.000
C2	-0.603	-0.810	0.000
C3	0.450	-1.908	0.000
O4	-0.953	1.526	0.000
O5	1.174	0.828	0.000
H6	-1.257	-0.879	0.871
H7	-1.257	-0.879	-0.871
H8	-0.024	-2.888	0.000
H9	1.089	-1.832	-0.878
H10	1.089	-1.832	0.878
H11	-0.485	2.369	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5060	2.5179	1.3506	1.2019	2.1065	2.1065	3.4578	2.7791	2.7791	1.8634
C2	1.5060		1.5208	2.3627	2.4169	1.0913	1.0913	2.1567	2.1625	2.1625	3.1814
C3	2.5179	1.5208		3.7096	2.8299	2.1750	2.1750	1.0892	1.0885	1.0885	4.3775
O4	1.3506	2.3627	3.7096		2.2389	2.5760	2.5760	4.5110	4.0271	4.0271	0.9641
O5	1.2019	2.4169	2.8299	2.2389		3.0955	3.0955	3.9046	2.8023	2.8023	2.2639
H6	2.1065	1.0913	2.1750	2.5760	3.0955		1.7418	2.5127	3.0773	2.5319	3.4501
H7	2.1065	1.0913	2.1750	2.5760	3.0955	1.7418		2.5127	2.5319	3.0773	3.4501
H8	3.4578	2.1567	1.0892	4.5110	3.9046	2.5127	2.5127		1.7682	1.7682	5.2770
H9	2.7791	2.1625	1.0885	4.0271	2.8023	3.0773	2.5319	1.7682		1.7562	4.5708
H10	2.7791	2.1625	1.0885	4.0271	2.8023	2.5319	3.0773	1.7682	1.7562		4.5708
H11	1.8634	3.1814	4.3775	0.9641	2.2639	3.4501	3.4501	5.2770	4.5708	4.5708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.581	C1	C2	H6	107.316
C1	C2	H7	107.316	C1	O4	H11	106.020
C2	C1	O4	111.493	C2	C1	O5	126.016
C2	C3	H8	110.355	C2	C3	H9	110.852
C2	C3	H10	110.852	C3	C2	H6	111.689
C3	C2	H7	111.689	O4	C1	O5	122.491
H6	C2	H7	105.877	H8	C3	H9	108.570
H8	C3	H10	108.570	H9	C3	H10	107.549

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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