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	hartrees
Energy at 0K	-208.893226
Energy at 298.15K
HF Energy	-208.042886
Nuclear repulsion energy	121.473395

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.936	-1.044	0.000
N3	0.263	1.378	0.000
O4	-1.297	-0.275	0.000
H5	1.973	-0.710	0.000
H6	0.750	-1.660	0.882
H7	0.750	-1.660	-0.882
H8	1.269	1.528	0.000
H9	-1.826	0.536	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5018	1.2747	1.3592	2.1448	2.1322	2.1322	1.8878	1.8702
C2	1.5018		2.5132	2.3618	1.0889	1.0920	1.0920	2.5934	3.1819
N3	1.2747	2.5132		2.2734	2.6988	3.2004	3.2004	1.0168	2.2522
O4	1.3592	2.3618	2.2734		3.2989	2.6238	2.6238	3.1366	0.9686
H5	2.1448	1.0889	2.6988	3.2989		1.7820	1.7820	2.3468	3.9980
H6	2.1322	1.0920	3.2004	2.6238	1.7820		1.7636	3.3486	3.4978
H7	2.1322	1.0920	3.2004	2.6238	1.7820	1.7636		3.3486	3.4978
H8	1.8878	2.5934	1.0168	3.1366	2.3468	3.3486	3.3486		3.2499
H9	1.8702	3.1819	2.2522	0.9686	3.9980	3.4978	3.4978	3.2499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.753	C1	C2	H6	109.570
C1	C2	H7	109.570	C1	N3	H8	110.437
C1	O4	H9	105.693	C2	C1	N3	129.508
C2	C1	O4	111.185	N3	C1	O4	119.307
H5	C2	H6	109.592	H5	C2	H7	109.592
H6	C2	H7	107.709

All results from a given calculation for CH₃C(OH)=NH (Ethaninidic acid)

using model chemistry: QCISD(T)/aug-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 CH3C(OH)=NH (Ethaninidic acid)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃C(OH)=NH (Ethaninidic acid)