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	hartrees
Energy at 0K	-208.682769
Energy at 298.15K	-208.689136
HF Energy	-207.992125
Nuclear repulsion energy	120.792451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3791	3652	52.78
2	A'	3530	3401	4.79
3	A'	3161	3046	12.38
4	A'	3059	2947	6.98
5	A'	1756	1692	216.33
6	A'	1483	1428	18.51
7	A'	1451	1398	57.02
8	A'	1387	1336	0.61
9	A'	1286	1239	82.60
10	A'	1124	1083	176.82
11	A'	1018	981	37.98
12	A'	878	846	1.45
13	A'	549	529	37.87
14	A'	422	406	2.08
15	A"	3136	3021	7.08
16	A"	1467	1413	6.87
17	A"	1065	1026	3.47
18	A"	856	824	28.46
19	A"	605	583	108.12
20	A"	523	504	24.97
21	A"	135	130	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.941	-1.049	0.000
N3	0.265	1.386	0.000
O4	-1.304	-0.276	0.000
H5	1.988	-0.714	0.000
H6	0.752	-1.671	0.891
H7	0.752	-1.671	-0.891
H8	1.277	1.532	0.000
H9	-1.840	0.532	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5106	1.2809	1.3662	2.1609	2.1475	2.1475	1.8947	1.8826
C2	1.5106		2.5271	2.3742	1.0997	1.1026	1.1026	2.6033	3.1989
N3	1.2809	2.5271		2.2850	2.7163	3.2209	3.2209	1.0226	2.2711
O4	1.3662	2.3742	2.2850		3.3210	2.6394	2.6394	3.1510	0.9695
H5	2.1609	1.0997	2.7163	3.3210		1.7993	1.7993	2.3560	4.0256
H6	2.1475	1.1026	3.2209	2.6394	1.7993		1.7819	3.3659	3.5163
H7	2.1475	1.1026	3.2209	2.6394	1.7993	1.7819		3.3659	3.5163
H8	1.8947	2.6033	1.0226	3.1510	2.3560	3.3659	3.3659		3.2732
H9	1.8826	3.1989	2.2711	0.9695	4.0256	3.5163	3.5163	3.2732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.769	C1	C2	H6	109.532
C1	C2	H7	109.532	C1	N3	H8	110.171
C1	O4	H9	106.172	C2	C1	N3	129.538
C2	C1	O4	111.141	N3	C1	O4	119.321
H5	C2	H6	109.577	H5	C2	H7	109.577
H6	C2	H7	107.801

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

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVDZ

States and conformations

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