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	hartrees
Energy at 0K	-208.929219
Energy at 298.15K	-208.935643
HF Energy	-208.039410
Nuclear repulsion energy	122.234099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3853	3853	61.56
2	A'	3591	3591	7.22
3	A'	3184	3184	10.01
4	A'	3086	3086	5.15
5	A'	1784	1784	235.55
6	A'	1515	1515	18.93
7	A'	1478	1478	69.85
8	A'	1416	1416	2.71
9	A'	1287	1287	89.62
10	A'	1133	1133	178.85
11	A'	1039	1039	36.23
12	A'	895	895	0.85
13	A'	562	562	40.58
14	A'	429	429	1.86
15	A"	3157	3157	5.19
16	A"	1503	1503	7.96
17	A"	1087	1087	5.15
18	A"	871	871	27.03
19	A"	625	625	110.11
20	A"	529	529	30.76
21	A"	142	142	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.903	-1.062	0.000
N3	0.300	1.359	0.000
O4	-1.295	-0.236	0.000
H5	1.946	-0.761	0.000
H6	0.702	-1.672	0.878
H7	0.702	-1.672	-0.878
H8	1.304	1.487	0.000
H9	-1.810	0.576	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4960	1.2643	1.3466	2.1408	2.1252	2.1252	1.8814	1.8638
C2	1.4960		2.4948	2.3482	1.0855	1.0885	1.0885	2.5802	3.1689
N3	1.2643	2.4948		2.2566	2.6842	3.1817	3.1817	1.0120	2.2507
O4	1.3466	2.3482	2.2566		3.2836	2.6120	2.6120	3.1191	0.9617
H5	2.1408	1.0855	2.6842	3.2836		1.7746	1.7746	2.3382	3.9869
H6	2.1252	1.0885	3.1817	2.6120	1.7746		1.7566	3.3341	3.4837
H7	2.1252	1.0885	3.1817	2.6120	1.7746	1.7566		3.3341	3.4837
H8	1.8814	2.5802	1.0120	3.1191	2.3382	3.3341	3.3341		3.2445
H9	1.8638	3.1689	2.2507	0.9617	3.9869	3.4837	3.4837	3.2445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.057	C1	C2	H6	109.625
C1	C2	H7	109.625	C1	N3	H8	111.000
C1	O4	H9	106.496	C2	C1	N3	129.137
C2	C1	O4	111.285	N3	C1	O4	119.578
H5	C2	H6	109.437	H5	C2	H7	109.437
H6	C2	H7	107.592

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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: CCSD=FULL/6-311+G(3df,2p)

States and conformations

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