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	hartrees
Energy at 0K	-267.954668
Energy at 298.15K
HF Energy	-266.951359
Nuclear repulsion energy	178.775666

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.569	0.000
C2	-0.603	-0.811	0.000
C3	0.450	-1.908	0.000
O4	-0.954	1.527	0.000
O5	1.176	0.829	0.000
H6	-1.258	-0.880	0.871
H7	-1.258	-0.880	-0.871
H8	-0.025	-2.889	0.000
H9	1.089	-1.832	-0.878
H10	1.089	-1.832	0.878
H11	-0.484	2.369	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5064	2.5182	1.3519	1.2038	2.1071	2.1071	3.4585	2.7793	2.7793	1.8638
C2	1.5064		1.5210	2.3640	2.4192	1.0915	1.0915	2.1572	2.1628	2.1628	3.1822
C3	2.5182	1.5210		3.7110	2.8315	2.1753	2.1753	1.0894	1.0888	1.0888	4.3782
O4	1.3519	2.3640	3.7110		2.2414	2.5772	2.5772	4.5127	4.0285	4.0285	0.9645
O5	1.2038	2.4192	2.8315	2.2414		3.0979	3.0979	3.9066	2.8034	2.8034	2.2646
H6	2.1071	1.0915	2.1753	2.5772	3.0979		1.7422	2.5133	3.0778	2.5323	3.4512
H7	2.1071	1.0915	2.1753	2.5772	3.0979	1.7422		2.5133	2.5323	3.0778	3.4512
H8	3.4585	2.1572	1.0894	4.5127	3.9066	2.5133	2.5133		1.7685	1.7685	5.2782
H9	2.7793	2.1628	1.0888	4.0285	2.8034	3.0778	2.5323	1.7685		1.7565	4.5713
H10	2.7793	2.1628	1.0888	4.0285	2.8034	2.5323	3.0778	1.7685	1.7565		4.5713
H11	1.8638	3.1822	4.3782	0.9645	2.2646	3.4512	3.4512	5.2782	4.5713	4.5713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.566	C1	C2	H6	107.324
C1	C2	H7	107.324	C1	O4	H11	105.929
C2	C1	O4	111.479	C2	C1	O5	126.050
C2	C3	H8	110.368	C2	C3	H9	110.851
C2	C3	H10	110.851	C3	C2	H6	111.687
C3	C2	H7	111.687	O4	C1	O5	122.472
H6	C2	H7	105.884	H8	C3	H9	108.567
H8	C3	H10	108.567	H9	C3	H10	107.544

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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