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	hartrees
Energy at 0K	-208.925652
Energy at 298.15K	-208.932057
HF Energy	-208.049702
Nuclear repulsion energy	122.187340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3834	3834	60.44
2	A'	3575	3575	5.64
3	A'	3176	3176	10.31
4	A'	3080	3080	5.23
5	A'	1783	1783	219.98
6	A'	1510	1510	23.11
7	A'	1478	1478	62.71
8	A'	1416	1416	0.90
9	A'	1292	1292	87.28
10	A'	1135	1135	184.97
11	A'	1037	1037	37.08
12	A'	892	892	0.81
13	A'	560	560	41.15
14	A'	429	429	1.60
15	A"	3150	3150	5.20
16	A"	1498	1498	7.80
17	A"	1091	1091	5.45
18	A"	874	874	27.91
19	A"	626	626	108.32
20	A"	529	529	31.13
21	A"	135	135	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.904	-1.061	0.000
N3	0.301	1.359	0.000
O4	-1.298	-0.238	0.000
H5	1.945	-0.756	0.000
H6	0.704	-1.670	0.878
H7	0.704	-1.670	-0.878
H8	1.305	1.477	0.000
H9	-1.808	0.578	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4971	1.2638	1.3499	2.1381	2.1245	2.1245	1.8746	1.8618
C2	1.4971		2.4943	2.3515	1.0843	1.0870	1.0870	2.5700	3.1689
N3	1.2638	2.4943		2.2604	2.6788	3.1796	3.1796	1.0110	2.2488
O4	1.3499	2.3515	2.2604		3.2843	2.6136	2.6136	3.1178	0.9620
H5	2.1381	1.0843	2.6788	3.2843		1.7738	1.7738	2.3233	3.9827
H6	2.1245	1.0870	3.1796	2.6136	1.7738		1.7555	3.3226	3.4833
H7	2.1245	1.0870	3.1796	2.6136	1.7738	1.7555		3.3226	3.4833
H8	1.8746	2.5700	1.0110	3.1178	2.3233	3.3226	3.3226		3.2401
H9	1.8618	3.1689	2.2488	0.9620	3.9827	3.4833	3.4833	3.2401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.828	C1	C2	H6	109.580
C1	C2	H7	109.580	C1	N3	H8	110.506
C1	O4	H9	106.067	C2	C1	N3	129.042
C2	C1	O4	111.266	N3	C1	O4	119.692
H5	C2	H6	109.547	H5	C2	H7	109.547
H6	C2	H7	107.700

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/Def2TZVPP

States and conformations

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