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	hartrees
Energy at 0K	-208.584986
Energy at 298.15K	-208.591451
HF Energy	-207.995280
Nuclear repulsion energy	121.799922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3940	3940	73.22
2	A'	3664	3664	8.77
3	A'	3249	3249	12.64
4	A'	3144	3144	6.05
5	A'	1827	1827	268.33
6	A'	1528	1528	24.02
7	A'	1498	1498	70.02
8	A'	1429	1429	1.44
9	A'	1321	1321	88.85
10	A'	1162	1162	184.99
11	A'	1053	1053	36.98
12	A'	909	909	0.67
13	A'	568	568	40.47
14	A'	435	435	1.95
15	A"	3222	3222	6.93
16	A"	1512	1512	7.33
17	A"	1102	1102	5.42
18	A"	884	884	28.88
19	A"	630	630	106.42
20	A"	536	536	36.64
21	A"	139	139	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.907	-1.065	0.000
N3	0.301	1.365	0.000
O4	-1.300	-0.237	0.000
H5	1.955	-0.759	0.000
H6	0.704	-1.677	0.884
H7	0.704	-1.677	-0.884
H8	1.306	1.488	0.000
H9	-1.819	0.570	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5028	1.2684	1.3520	2.1484	2.1337	2.1337	1.8825	1.8705
C2	1.5028		2.5045	2.3581	1.0909	1.0941	1.0941	2.5845	3.1790
N3	1.2684	2.5045		2.2652	2.6916	3.1933	3.1933	1.0125	2.2637
O4	1.3520	2.3581	2.2652		3.2966	2.6219	2.6219	3.1259	0.9593
H5	2.1484	1.0909	2.6916	3.2966		1.7853	1.7853	2.3392	4.0005
H6	2.1337	1.0941	3.1933	2.6219	1.7853		1.7679	3.3412	3.4924
H7	2.1337	1.0941	3.1933	2.6219	1.7853	1.7679		3.3412	3.4924
H8	1.8825	2.5845	1.0125	3.1259	2.3392	3.3412	3.3412		3.2567
H9	1.8705	3.1790	2.2637	0.9593	4.0005	3.4924	3.4924	3.2567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.853	C1	C2	H6	109.492
C1	C2	H7	109.492	C1	N3	H8	110.746
C1	O4	H9	106.823	C2	C1	N3	129.118
C2	C1	O4	111.279	N3	C1	O4	119.603
H5	C2	H6	109.582	H5	C2	H7	109.582
H6	C2	H7	107.784

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

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

States and conformations

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