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	hartrees
Energy at 0K	-208.769558
Energy at 298.15K	-208.776010
HF Energy	-207.982773
Nuclear repulsion energy	122.363589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3891	3891	59.76
2	A'	3631	3631	4.71
3	A'	3242	3242	7.47
4	A'	3137	3137	2.84
5	A'	1828	1828	205.95
6	A'	1534	1534	24.74
7	A'	1499	1499	69.33
8	A'	1430	1430	0.51
9	A'	1310	1310	104.48
10	A'	1144	1144	178.83
11	A'	1048	1048	26.19
12	A'	905	905	0.78
13	A'	564	564	41.84
14	A'	429	429	1.56
15	A"	3216	3216	3.07
16	A"	1521	1521	6.95
17	A"	1104	1104	9.83
18	A"	891	891	25.72
19	A"	643	643	112.06
20	A"	539	539	30.86
21	A"	144	144	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.135	0.000
C2	0.895	-1.066	0.000
N3	0.308	1.358	0.000
O4	-1.294	-0.232	0.000
H5	1.941	-0.777	0.000
H6	0.687	-1.675	0.877
H7	0.687	-1.675	-0.877
H8	1.312	1.477	0.000
H9	-1.798	0.586	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4970	1.2617	1.3447	2.1440	2.1253	2.1253	1.8774	1.8536
C2	1.4970		2.4939	2.3419	1.0854	1.0883	1.0883	2.5771	3.1586
N3	1.2617	2.4939		2.2568	2.6878	3.1803	3.1803	1.0114	2.2427
O4	1.3447	2.3419	2.2568		3.2802	2.6032	2.6032	3.1165	0.9606
H5	2.1440	1.0854	2.6878	3.2802		1.7746	1.7746	2.3400	3.9791
H6	2.1253	1.0883	3.1803	2.6032	1.7746		1.7549	3.3314	3.4722
H7	2.1253	1.0883	3.1803	2.6032	1.7746	1.7549		3.3314	3.4722
H8	1.8774	2.5771	1.0114	3.1165	2.3400	3.3314	3.3314		3.2351
H9	1.8536	3.1586	2.2427	0.9606	3.9791	3.4722	3.4722	3.2351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.250	C1	C2	H6	109.571
C1	C2	H7	109.571	C1	N3	H8	110.887
C1	O4	H9	105.830	C2	C1	N3	129.185
C2	C1	O4	110.884	N3	C1	O4	119.930
H5	C2	H6	109.450	H5	C2	H7	109.450
H6	C2	H7	107.470

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

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