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	hartrees
Energy at 0K	-208.689066
Energy at 298.15K	-208.695452
HF Energy	-207.993968
Nuclear repulsion energy	121.133523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3838	3838	59.66
2	A'	3565	3565	6.30
3	A'	3186	3186	11.54
4	A'	3080	3080	5.90
5	A'	1783	1783	225.56
6	A'	1489	1489	22.61
7	A'	1459	1459	59.72
8	A'	1390	1390	0.25
9	A'	1295	1295	87.62
10	A'	1135	1135	180.84
11	A'	1022	1022	34.82
12	A'	887	887	1.24
13	A'	554	554	39.31
14	A'	424	424	2.00
15	A"	3159	3159	6.13
16	A"	1471	1471	7.34
17	A"	1066	1066	4.26
18	A"	866	866	27.12
19	A"	609	609	102.21
20	A"	520	520	32.20
21	A"	135	135	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.918	-1.065	0.000
N3	0.294	1.375	0.000
O4	-1.307	-0.247	0.000
H5	1.968	-0.750	0.000
H6	0.719	-1.682	0.888
H7	0.719	-1.682	-0.888
H8	1.306	1.498	0.000
H9	-1.826	0.567	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5084	1.2769	1.3605	2.1567	2.1439	2.1439	1.8901	1.8769
C2	1.5084		2.5180	2.3700	1.0967	1.0998	1.0998	2.5922	3.1924
N3	1.2769	2.5180		2.2788	2.7046	3.2112	3.2112	1.0197	2.2686
O4	1.3605	2.3700	2.2788		3.3132	2.6362	2.6362	3.1423	0.9658
H5	2.1567	1.0967	2.7046	3.3132		1.7943	1.7943	2.3431	4.0161
H6	2.1439	1.0998	3.2112	2.6362	1.7943		1.7768	3.3536	3.5103
H7	2.1439	1.0998	3.2112	2.6362	1.7943	1.7768		3.3536	3.5103
H8	1.8901	2.5922	1.0197	3.1423	2.3431	3.3536	3.3536		3.2676
H9	1.8769	3.1924	2.2686	0.9658	4.0161	3.5103	3.5103	3.2676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.775	C1	C2	H6	109.575
C1	C2	H7	109.575	C1	N3	H8	110.271
C1	O4	H9	106.330	C2	C1	N3	129.199
C2	C1	O4	111.292	N3	C1	O4	119.509
H5	C2	H6	109.550	H5	C2	H7	109.550
H6	C2	H7	107.762

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

using model chemistry: MP3=FULL/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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