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	hartrees
Energy at 0K	-208.742535
Energy at 298.15K	-208.748925
HF Energy	-207.981893
Nuclear repulsion energy	121.811057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3837	3635	54.29
2	A'	3584	3396	2.90
3	A'	3200	3032	9.47
4	A'	3100	2937	4.23
5	A'	1788	1694	200.47
6	A'	1518	1438	24.10
7	A'	1484	1406	60.83
8	A'	1419	1345	1.08
9	A'	1297	1229	93.92
10	A'	1137	1077	176.34
11	A'	1036	982	28.54
12	A'	889	842	0.74
13	A'	555	526	40.04
14	A'	423	401	1.55
15	A"	3176	3009	4.75
16	A"	1502	1423	6.40
17	A"	1086	1029	7.98
18	A"	875	829	24.66
19	A"	632	599	119.55
20	A"	526	498	21.79
21	A"	132	125	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.135	0.000
C2	0.908	-1.064	0.000
N3	0.295	1.369	0.000
O4	-1.297	-0.245	0.000
H5	1.955	-0.764	0.000
H6	0.706	-1.677	0.881
H7	0.706	-1.677	-0.881
H8	1.302	1.494	0.000
H9	-1.805	0.574	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5034	1.2691	1.3512	2.1515	2.1345	2.1345	1.8824	1.8577
C2	1.5034		2.5089	2.3514	1.0894	1.0921	1.0921	2.5881	3.1687
N3	1.2691	2.5089		2.2669	2.7029	3.1975	3.1975	1.0150	2.2453
O4	1.3512	2.3514	2.2669		3.2927	2.6144	2.6144	3.1271	0.9641
H5	2.1515	1.0894	2.7029	3.2927		1.7806	1.7806	2.3504	3.9908
H6	2.1345	1.0921	3.1975	2.6144	1.7806		1.7616	3.3448	3.4851
H7	2.1345	1.0921	3.1975	2.6144	1.7806	1.7616		3.3448	3.4851
H8	1.8824	2.5881	1.0150	3.1271	2.3504	3.3448	3.3448		3.2404
H9	1.8577	3.1687	2.2453	0.9641	3.9908	3.4851	3.4851	3.2404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.154	C1	C2	H6	109.631
C1	C2	H7	109.631	C1	N3	H8	110.502
C1	O4	H9	105.486	C2	C1	N3	129.430
C2	C1	O4	110.807	N3	C1	O4	119.763
H5	C2	H6	109.421	H5	C2	H7	109.421
H6	C2	H7	107.509

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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