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	hartrees
Energy at 0K	-208.786940
Energy at 298.15K	-208.793300
HF Energy	-208.033127
Nuclear repulsion energy	122.065438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3888	3630	54.83
2	A'	3604	3365	4.93
3	A'	3209	2996	12.43
4	A'	3109	2903	5.94
5	A'	1807	1687	218.48
6	A'	1522	1421	17.31
7	A'	1488	1389	60.70
8	A'	1429	1334	0.93
9	A'	1313	1226	91.65
10	A'	1145	1069	179.28
11	A'	1047	977	46.11
12	A'	895	835	1.17
13	A'	567	529	43.37
14	A'	435	406	1.98
15	A"	3186	2975	6.49
16	A"	1497	1397	7.95
17	A"	1091	1019	4.04
18	A"	873	815	30.70
19	A"	586	548	122.59
20	A"	504	470	34.40
21	A"	120	112	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.911	-1.059	0.000
N3	0.294	1.362	0.000
O4	-1.299	-0.243	0.000
H5	1.951	-0.747	0.000
H6	0.715	-1.668	0.880
H7	0.715	-1.668	-0.880
H8	1.300	1.479	0.000
H9	-1.813	0.570	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4999	1.2631	1.3523	2.1406	2.1284	2.1284	1.8710	1.8647
C2	1.4999		2.4975	2.3550	1.0861	1.0883	1.0883	2.5674	3.1734
N3	1.2631	2.4975		2.2613	2.6820	3.1829	3.1829	1.0123	2.2506
O4	1.3523	2.3550	2.2613		3.2888	2.6188	2.6188	3.1175	0.9624
H5	2.1406	1.0861	2.6820	3.2888		1.7753	1.7753	2.3199	3.9879
H6	2.1284	1.0883	3.1829	2.6188	1.7753		1.7600	3.3201	3.4890
H7	2.1284	1.0883	3.1829	2.6188	1.7753	1.7600		3.3201	3.4890
H8	1.8710	2.5674	1.0123	3.1175	2.3199	3.3201	3.3201		3.2424
H9	1.8647	3.1734	2.2506	0.9624	3.9879	3.4890	3.4890	3.2424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.728	C1	C2	H6	109.614
C1	C2	H7	109.614	C1	N3	H8	110.135
C1	O4	H9	106.110	C2	C1	N3	129.151
C2	C1	O4	111.214	N3	C1	O4	119.635
H5	C2	H6	109.460	H5	C2	H7	109.460
H6	C2	H7	107.917

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

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

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