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	hartrees
Energy at 0K	-208.687737
Energy at 298.15K	-208.694086
HF Energy	-207.992934
Nuclear repulsion energy	120.749960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3778	52.22
2	A'	3526	3526	4.62
3	A'	3156	3156	12.59
4	A'	3053	3053	7.34
5	A'	1746	1746	216.59
6	A'	1482	1482	17.89
7	A'	1447	1447	57.05
8	A'	1385	1385	0.75
9	A'	1281	1281	78.56
10	A'	1123	1123	175.47
11	A'	1016	1016	40.22
12	A'	875	875	1.36
13	A'	547	547	37.98
14	A'	419	419	1.95
15	A"	3130	3130	7.37
16	A"	1466	1466	6.93
17	A"	1061	1061	3.35
18	A"	853	853	26.90
19	A"	604	604	104.84
20	A"	515	515	26.52
21	A"	130	130	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.939	-1.052	0.000
N3	0.268	1.386	0.000
O4	-1.305	-0.273	0.000
H5	1.987	-0.718	0.000
H6	0.751	-1.673	0.891
H7	0.751	-1.673	-0.891
H8	1.280	1.530	0.000
H9	-1.838	0.537	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5110	1.2820	1.3666	2.1608	2.1481	2.1481	1.8953	1.8823
C2	1.5110		2.5281	2.3755	1.0993	1.1023	1.1023	2.6036	3.1997
N3	1.2820	2.5281		2.2861	2.7164	3.2220	3.2220	1.0226	2.2708
O4	1.3666	2.3755	2.2861		3.3216	2.6415	2.6415	3.1519	0.9698
H5	2.1608	1.0993	2.7164	3.3216		1.7982	1.7982	2.3558	4.0254
H6	2.1481	1.1023	3.2220	2.6415	1.7982		1.7815	3.3660	3.5182
H7	2.1481	1.1023	3.2220	2.6415	1.7982	1.7815		3.3660	3.5182
H8	1.8953	2.6036	1.0226	3.1519	2.3558	3.3660	3.3660		3.2728
H9	1.8823	3.1997	2.2708	0.9698	4.0254	3.5182	3.5182	3.2728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.758	C1	C2	H6	109.576
C1	C2	H7	109.576	C1	N3	H8	110.148
C1	O4	H9	106.102	C2	C1	N3	129.505
C2	C1	O4	111.180	N3	C1	O4	119.314
H5	C2	H6	109.530	H5	C2	H7	109.530
H6	C2	H7	107.818

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

using model chemistry: QCISD/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: QCISD/daug-cc-pVDZ

States and conformations

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