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	hartrees
Energy at 0K	-208.729662
Energy at 298.15K	-208.736160
HF Energy	-208.050745
Nuclear repulsion energy	122.935548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3991	3991	82.23
2	A'	3710	3710	10.61
3	A'	3269	3269	10.62
4	A'	3169	3169	4.62
5	A'	1854	1854	272.52
6	A'	1555	1555	24.87
7	A'	1524	1524	77.13
8	A'	1458	1458	3.31
9	A'	1327	1327	95.06
10	A'	1168	1168	191.52
11	A'	1071	1071	35.26
12	A'	920	920	0.69
13	A'	578	578	43.05
14	A'	442	442	1.62
15	A"	3242	3242	5.11
16	A"	1543	1543	7.93
17	A"	1127	1127	7.63
18	A"	901	901	30.47
19	A"	647	647	109.36
20	A"	546	546	41.03
21	A"	141	141	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.886	-1.069	0.000
N3	0.320	1.345	0.000
O4	-1.293	-0.215	0.000
H5	1.926	-0.782	0.000
H6	0.676	-1.672	0.873
H7	0.676	-1.672	-0.873
H8	1.316	1.457	0.000
H9	-1.798	0.592	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4923	1.2536	1.3394	2.1317	2.1157	2.1157	1.8668	1.8561
C2	1.4923		2.4789	2.3400	1.0788	1.0817	1.0817	2.5617	3.1562
N3	1.2536	2.4789		2.2442	2.6650	3.1608	3.1608	1.0027	2.2477
O4	1.3394	2.3400	2.2442		3.2684	2.6008	2.6008	3.0992	0.9526
H5	2.1317	1.0788	2.6650	3.2684		1.7649	1.7649	2.3201	3.9694
H6	2.1157	1.0817	3.1608	2.6008	1.7649		1.7462	3.3105	3.4661
H7	2.1157	1.0817	3.1608	2.6008	1.7649	1.7462		3.3105	3.4661
H8	1.8668	2.5617	1.0027	3.0992	2.3201	3.3105	3.3105		3.2321
H9	1.8561	3.1562	2.2477	0.9526	3.9694	3.4661	3.4661	3.2321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.990	C1	C2	H6	109.529
C1	C2	H7	109.529	C1	N3	H8	111.176
C1	O4	H9	106.949	C2	C1	N3	128.829
C2	C1	O4	111.336	N3	C1	O4	119.834
H5	C2	H6	109.545	H5	C2	H7	109.545
H6	C2	H7	107.638

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

using model chemistry: CID/Def2TZVPP

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: CID/Def2TZVPP

States and conformations

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