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	hartrees
Energy at 0K	-208.740963
Energy at 298.15K	-208.747360
HF Energy	-207.982015
Nuclear repulsion energy	121.867080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3842	3633	54.52
2	A'	3587	3391	3.07
3	A'	3204	3029	9.15
4	A'	3103	2934	3.98
5	A'	1797	1699	199.83
6	A'	1519	1436	24.47
7	A'	1486	1405	61.51
8	A'	1421	1343	0.94
9	A'	1300	1229	95.52
10	A'	1139	1077	177.46
11	A'	1038	981	27.82
12	A'	891	842	0.72
13	A'	557	526	40.17
14	A'	424	401	1.57
15	A"	3179	3006	4.50
16	A"	1503	1421	6.47
17	A"	1088	1028	8.18
18	A"	879	831	25.05
19	A"	632	598	118.14
20	A"	527	498	23.13
21	A"	133	126	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.135	0.000
C2	0.905	-1.065	0.000
N3	0.299	1.367	0.000
O4	-1.297	-0.242	0.000
H5	1.952	-0.768	0.000
H6	0.701	-1.678	0.881
H7	0.701	-1.678	-0.881
H8	1.306	1.489	0.000
H9	-1.804	0.578	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5031	1.2681	1.3504	2.1511	2.1339	2.1339	1.8815	1.8578
C2	1.5031		2.5071	2.3507	1.0891	1.0919	1.0919	2.5858	3.1684
N3	1.2681	2.5071		2.2658	2.7008	3.1955	3.1955	1.0149	2.2460
O4	1.3504	2.3507	2.2658		3.2917	2.6136	2.6136	3.1259	0.9638
H5	2.1511	1.0891	2.7008	3.2917		1.7803	1.7803	2.3477	3.9904
H6	2.1339	1.0919	3.1955	2.6136	1.7803		1.7612	3.3425	3.4844
H7	2.1339	1.0919	3.1955	2.6136	1.7803	1.7612		3.3425	3.4844
H8	1.8815	2.5858	1.0149	3.1259	2.3477	3.3425	3.3425		3.2410
H9	1.8578	3.1684	2.2460	0.9638	3.9904	3.4844	3.4844	3.2410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.158	C1	C2	H6	109.618
C1	C2	H7	109.618	C1	N3	H8	110.511
C1	O4	H9	105.570	C2	C1	N3	129.374
C2	C1	O4	110.821	N3	C1	O4	119.805
H5	C2	H6	109.432	H5	C2	H7	109.432
H6	C2	H7	107.508

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

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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