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	hartrees
Energy at 0K	-208.838785
Energy at 298.15K	-208.845141
HF Energy	-208.043503
Nuclear repulsion energy	121.775583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3748	3748	65.15
2	A'	3550	3550	9.90
3	A'	3200	3200	6.22
4	A'	3088	3088	4.03
5	A'	1726	1726	199.30
6	A'	1502	1502	21.88
7	A'	1447	1447	68.13
8	A'	1392	1392	4.25
9	A'	1252	1252	85.59
10	A'	1108	1108	171.34
11	A'	1024	1024	44.88
12	A'	882	882	0.95
13	A'	548	548	39.91
14	A'	423	423	1.79
15	A"	3172	3172	2.36
16	A"	1494	1494	8.58
17	A"	1073	1073	3.58
18	A"	850	850	25.16
19	A"	622	622	112.13
20	A"	526	526	20.32
21	A"	135	135	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.938	-1.035	0.000
N3	0.255	1.378	0.000
O4	-1.291	-0.284	0.000
H5	1.971	-0.700	0.000
H6	0.754	-1.651	0.879
H7	0.754	-1.651	-0.879
H8	1.258	1.533	0.000
H9	-1.823	0.528	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4954	1.2738	1.3553	2.1380	2.1240	2.1240	1.8850	1.8655
C2	1.4954		2.5075	2.3521	1.0858	1.0888	1.0888	2.5880	3.1722
N3	1.2738	2.5075		2.2690	2.6942	3.1928	3.1928	1.0155	2.2445
O4	1.3553	2.3521	2.2690		3.2879	2.6123	2.6123	3.1302	0.9699
H5	2.1380	1.0858	2.6942	3.2879		1.7769	1.7769	2.3435	3.9868
H6	2.1240	1.0888	3.1928	2.6123	1.7769		1.7577	3.3413	3.4868
H7	2.1240	1.0888	3.1928	2.6123	1.7769	1.7577		3.3413	3.4868
H8	1.8850	2.5880	1.0155	3.1302	2.3435	3.3413	3.3413		3.2408
H9	1.8655	3.1722	2.2445	0.9699	3.9868	3.4868	3.4868	3.2408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.853	C1	C2	H6	109.549
C1	C2	H7	109.549	C1	N3	H8	110.341
C1	O4	H9	105.501	C2	C1	N3	129.612
C2	C1	O4	111.103	N3	C1	O4	119.285
H5	C2	H6	109.593	H5	C2	H7	109.593
H6	C2	H7	107.641

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

using model chemistry: MP2/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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