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	hartrees
Energy at 0K	-208.638635
Energy at 298.15K	-208.644996
HF Energy	-207.974502
Nuclear repulsion energy	121.352800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3842	3587	53.12
2	A'	3600	3362	4.32
3	A'	3221	3008	12.81
4	A'	3119	2913	7.70
5	A'	1782	1664	226.00
6	A'	1537	1435	17.24
7	A'	1486	1387	59.52
8	A'	1431	1337	9.04
9	A'	1289	1203	76.91
10	A'	1141	1065	179.86
11	A'	1050	980	49.97
12	A'	891	832	1.07
13	A'	554	518	43.38
14	A'	430	402	2.09
15	A"	3201	2989	6.44
16	A"	1518	1418	7.49
17	A"	1091	1019	3.10
18	A"	865	808	34.25
19	A"	598	558	130.70
20	A"	514	480	34.45
21	A"	129	121	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.943	-1.039	0.000
N3	0.256	1.382	0.000
O4	-1.296	-0.285	0.000
H5	1.977	-0.701	0.000
H6	0.761	-1.654	0.882
H7	0.761	-1.654	-0.882
H8	1.260	1.541	0.000
H9	-1.843	0.514	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5036	1.2758	1.3613	2.1455	2.1320	2.1320	1.8902	1.8822
C2	1.5036		2.5165	2.3625	1.0879	1.0901	1.0901	2.5997	3.1898
N3	1.2758	2.5165		2.2775	2.7019	3.2011	3.2011	1.0162	2.2713
O4	1.3613	2.3625	2.2775		3.2993	2.6233	2.6233	3.1411	0.9686
H5	2.1455	1.0879	2.7019	3.2993		1.7788	1.7788	2.3543	4.0088
H6	2.1320	1.0901	3.2011	2.6233	1.7788		1.7633	3.3518	3.5012
H7	2.1320	1.0901	3.2011	2.6233	1.7788	1.7633		3.3518	3.5012
H8	1.8902	2.5997	1.0162	3.1411	2.3543	3.3518	3.3518		3.2683
H9	1.8822	3.1898	2.2713	0.9686	4.0088	3.5012	3.5012	3.2683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.740	C1	C2	H6	109.541
C1	C2	H7	109.541	C1	N3	H8	110.610
C1	O4	H9	106.554	C2	C1	N3	129.577
C2	C1	O4	111.002	N3	C1	O4	119.421
H5	C2	H6	109.508	H5	C2	H7	109.508
H6	C2	H7	107.954

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

using model chemistry: CCSD/6-31+G**

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: CCSD/6-31+G**

States and conformations

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