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	hartrees
Energy at 0K	-208.583142
Energy at 298.15K	-208.589555
HF Energy	-207.951467
Nuclear repulsion energy	121.606151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3769	3537	52.36
2	A'	3561	3341	1.24
3	A'	3219	3020	10.94
4	A'	3121	2928	4.00
5	A'	1835	1722	201.39
6	A'	1550	1454	22.55
7	A'	1511	1418	73.86
8	A'	1448	1358	1.00
9	A'	1323	1242	101.87
10	A'	1158	1087	188.36
11	A'	1056	991	33.45
12	A'	905	849	0.71
13	A'	564	529	43.17
14	A'	434	407	2.38
15	A"	3198	3000	5.14
16	A"	1531	1437	8.15
17	A"	1108	1039	9.92
18	A"	890	835	30.39
19	A"	635	596	152.93
20	A"	527	495	23.54
21	A"	135	127	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.939	-1.038	0.000
N3	0.255	1.377	0.000
O4	-1.292	-0.282	0.000
H5	1.978	-0.705	0.000
H6	0.755	-1.656	0.882
H7	0.755	-1.656	-0.882
H8	1.260	1.541	0.000
H9	-1.830	0.529	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5011	1.2696	1.3569	2.1484	2.1330	2.1330	1.8897	1.8726
C2	1.5011		2.5100	2.3557	1.0910	1.0932	1.0932	2.5992	3.1821
N3	1.2696	2.5100		2.2678	2.7028	3.1981	3.1981	1.0188	2.2504
O4	1.3569	2.3557	2.2678		3.2973	2.6183	2.6183	3.1363	0.9736
H5	2.1484	1.0910	2.7028	3.2973		1.7834	1.7834	2.3584	4.0034
H6	2.1330	1.0932	3.1981	2.6183	1.7834		1.7649	3.3553	3.4981
H7	2.1330	1.0932	3.1981	2.6183	1.7834	1.7649		3.3553	3.4981
H8	1.8897	2.5992	1.0188	3.1363	2.3584	3.3553	3.3553		3.2517
H9	1.8726	3.1821	2.2504	0.9736	4.0034	3.4981	3.4981	3.2517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.967	C1	C2	H6	109.603
C1	C2	H7	109.603	C1	N3	H8	110.860
C1	O4	H9	105.758	C2	C1	N3	129.700
C2	C1	O4	110.924	N3	C1	O4	119.376
H5	C2	H6	109.472	H5	C2	H7	109.472
H6	C2	H7	107.659

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

using model chemistry: MP3=FULL/6-31G*

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/6-31G*

States and conformations

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