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	hartrees
Energy at 0K	-208.680064
Energy at 298.15K	-208.686438
HF Energy	-207.993462
Nuclear repulsion energy	120.926155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3811	3811	57.57
2	A'	3540	3540	6.07
3	A'	3166	3166	12.01
4	A'	3060	3060	6.70
5	A'	1775	1775	216.88
6	A'	1485	1485	19.00
7	A'	1454	1454	59.27
8	A'	1389	1389	0.49
9	A'	1289	1289	84.72
10	A'	1129	1129	179.43
11	A'	1020	1020	37.07
12	A'	881	881	1.53
13	A'	552	552	38.34
14	A'	422	422	2.02
15	A"	3139	3139	6.80
16	A"	1469	1469	7.04
17	A"	1066	1066	3.85
18	A"	865	865	27.70
19	A"	604	604	101.65
20	A"	518	518	31.47
21	A"	134	134	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.930	-1.057	0.000
N3	0.280	1.380	0.000
O4	-1.306	-0.261	0.000
H5	1.979	-0.733	0.000
H6	0.736	-1.677	0.890
H7	0.736	-1.677	-0.890
H8	1.293	1.514	0.000
H9	-1.835	0.549	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5103	1.2783	1.3640	2.1604	2.1473	2.1473	1.8920	1.8817
C2	1.5103		2.5227	2.3729	1.0988	1.1019	1.1019	2.5971	3.1976
N3	1.2783	2.5227		2.2824	2.7116	3.2169	3.2169	1.0219	2.2726
O4	1.3640	2.3729	2.2824		3.3188	2.6393	2.6393	3.1474	0.9680
H5	2.1604	1.0988	2.7116	3.3188		1.7973	1.7973	2.3494	4.0241
H6	2.1473	1.1019	3.2169	2.6393	1.7973		1.7804	3.3597	3.5156
H7	2.1473	1.1019	3.2169	2.6393	1.7973	1.7804		3.3597	3.5156
H8	1.8920	2.5971	1.0219	3.1474	2.3494	3.3597	3.3597		3.2737
H9	1.8817	3.1976	2.2726	0.9680	4.0241	3.5156	3.5156	3.2737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.804	C1	C2	H6	109.585
C1	C2	H7	109.585	C1	N3	H8	110.180
C1	O4	H9	106.348	C2	C1	N3	129.360
C2	C1	O4	111.187	N3	C1	O4	119.453
H5	C2	H6	109.517	H5	C2	H7	109.517
H6	C2	H7	107.777

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

using model chemistry: CCD/daug-cc-pVDZ

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: CCD/daug-cc-pVDZ

States and conformations

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