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	hartrees
Energy at 0K	-205.487421
Energy at 298.15K	-205.493420
HF Energy	-205.262587
Nuclear repulsion energy	117.616542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3437	17.54
2	A'	3589	3191	11.03
3	A'	3558	3163	0.34
4	A'	3373	2998	0.14
5	A'	1780	1583	44.06
6	A'	1707	1518	16.33
7	A'	1638	1456	27.10
8	A'	1583	1407	5.60
9	A'	1407	1251	25.50
10	A'	1243	1105	86.06
11	A'	1102	980	15.13
12	A'	894	795	0.51
13	A'	505	449	24.52
14	A'	396	352	0.91
15	A"	3549	3155	0.11
16	A"	1705	1516	1.76
17	A"	1166	1037	4.83
18	A"	915	813	22.28
19	A"	646	575	82.84
20	A"	497	442	0.27
21	A"	82	73	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.125	0.000
C2	0.985	-1.071	0.000
N3	0.238	1.433	0.000
O4	-1.342	-0.297	0.000
H5	2.027	-0.707	0.000
H6	0.825	-1.698	0.894
H7	0.825	-1.698	-0.894
H8	1.304	1.525	0.000
H9	-1.825	0.598	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5490	1.3299	1.4064	2.1909	2.1921	2.1921	1.9136	1.8854
C2	1.5490		2.6129	2.4518	1.1032	1.1041	1.1041	2.6156	3.2682
N3	1.3299	2.6129		2.3430	2.7894	3.3093	3.3093	1.0699	2.2258
O4	1.4064	2.4518	2.3430		3.3932	2.7312	2.7312	3.2126	1.0175
H5	2.1909	1.1032	2.7894	3.3932		1.7957	1.7957	2.3467	4.0669
H6	2.1921	1.1041	3.3093	2.7312	1.7957		1.7885	3.3795	3.6192
H7	2.1921	1.1041	3.3093	2.7312	1.7957	1.7885		3.3795	3.6192
H8	1.9136	2.6156	1.0699	3.2126	2.3467	3.3795	3.3795		3.2636
H9	1.8854	3.2682	2.2258	1.0175	4.0669	3.6192	3.6192	3.2636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.256	C1	C2	H6	110.299
C1	C2	H7	110.299	C1	N3	H8	105.253
C1	O4	H9	100.907	C2	C1	N3	130.202
C2	C1	O4	112.023	N3	C1	O4	117.775
H5	C2	H6	108.881	H5	C2	H7	108.881
H6	C2	H7	108.175

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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