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	hartrees
Energy at 0K	-208.858849
Energy at 298.15K
HF Energy	-208.043886
Nuclear repulsion energy	121.853076

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.921	-1.052	0.000
N3	0.281	1.369	0.000
O4	-1.297	-0.257	0.000
H5	1.961	-0.733	0.000
H6	0.727	-1.665	0.880
H7	0.727	-1.665	-0.880
H8	1.285	1.507	0.000
H9	-1.820	0.554	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4994	1.2685	1.3537	2.1429	2.1287	2.1287	1.8824	1.8680
C2	1.4994		2.5034	2.3555	1.0873	1.0902	1.0902	2.5845	3.1762
N3	1.2685	2.5034		2.2655	2.6906	3.1901	3.1901	1.0136	2.2533
O4	1.3537	2.3555	2.2655		3.2917	2.6176	2.6176	3.1270	0.9650
H5	2.1429	1.0873	2.6906	3.2917		1.7787	1.7787	2.3401	3.9934
H6	2.1287	1.0902	3.1901	2.6176	1.7787		1.7604	3.3389	3.4905
H7	2.1287	1.0902	3.1901	2.6176	1.7787	1.7604		3.3389	3.4905
H8	1.8824	2.5845	1.0136	3.1270	2.3401	3.3389	3.3389		3.2479
H9	1.8680	3.1762	2.2533	0.9650	3.9934	3.4905	3.4905	3.2479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.871	C1	C2	H6	109.564
C1	C2	H7	109.564	C1	N3	H8	110.651
C1	O4	H9	106.128	C2	C1	N3	129.308
C2	C1	O4	111.194	N3	C1	O4	119.497
H5	C2	H6	109.548	H5	C2	H7	109.548
H6	C2	H7	107.686

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

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

States and conformations

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