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	hartrees
Energy at 0K	-208.849468
Energy at 298.15K	-208.855850
HF Energy	-208.049289
Nuclear repulsion energy	121.943341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3828	3828	59.12
2	A'	3570	3570	5.11
3	A'	3173	3173	10.88
4	A'	3077	3077	5.66
5	A'	1771	1771	218.83
6	A'	1508	1508	21.85
7	A'	1473	1473	61.51
8	A'	1412	1412	0.99
9	A'	1288	1288	85.07
10	A'	1132	1132	183.19
11	A'	1032	1032	37.27
12	A'	887	887	0.79
13	A'	556	556	40.76
14	A'	426	426	1.62
15	A"	3147	3147	5.68
16	A"	1495	1495	7.61
17	A"	1084	1084	5.04
18	A"	868	868	27.51
19	A"	621	621	109.22
20	A"	524	524	29.48
21	A"	132	132	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.910	-1.060	0.000
N3	0.295	1.364	0.000
O4	-1.299	-0.244	0.000
H5	1.952	-0.750	0.000
H6	0.712	-1.671	0.880
H7	0.712	-1.671	-0.880
H8	1.300	1.487	0.000
H9	-1.811	0.572	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4996	1.2671	1.3526	2.1423	2.1288	2.1288	1.8774	1.8636
C2	1.4996		2.5007	2.3554	1.0866	1.0893	1.0893	2.5757	3.1730
N3	1.2671	2.5007		2.2647	2.6865	3.1876	3.1876	1.0125	2.2503
O4	1.3526	2.3554	2.2647		3.2906	2.6184	2.6184	3.1228	0.9631
H5	2.1423	1.0866	2.6865	3.2906		1.7772	1.7772	2.3298	3.9886
H6	2.1288	1.0893	3.1876	2.6184	1.7772		1.7590	3.3299	3.4887
H7	2.1288	1.0893	3.1876	2.6184	1.7772	1.7590		3.3299	3.4887
H8	1.8774	2.5757	1.0125	3.1228	2.3298	3.3299	3.3299		3.2429
H9	1.8636	3.1730	2.2503	0.9631	3.9886	3.4887	3.4887	3.2429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.845	C1	C2	H6	109.607
C1	C2	H7	109.607	C1	N3	H8	110.397
C1	O4	H9	105.951	C2	C1	N3	129.151
C2	C1	O4	111.236	N3	C1	O4	119.613
H5	C2	H6	109.520	H5	C2	H7	109.520
H6	C2	H7	107.683

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

using model chemistry: QCISD/Def2TZVPP

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: QCISD/Def2TZVPP

States and conformations

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