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	hartrees
Energy at 0K	-209.011883
Energy at 298.15K	-209.018236
HF Energy	-208.796603
Nuclear repulsion energy	121.421384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3593	55.59
2	A'	3571	3396	5.60
3	A'	3196	3040	11.02
4	A'	3095	2943	6.80
5	A'	1740	1655	243.80
6	A'	1512	1438	23.21
7	A'	1457	1386	62.03
8	A'	1406	1337	11.21
9	A'	1262	1201	82.29
10	A'	1113	1058	175.34
11	A'	1032	981	53.68
12	A'	881	837	1.00
13	A'	551	524	42.84
14	A'	427	406	1.96
15	A"	3171	3016	4.97
16	A"	1500	1427	9.59
17	A"	1079	1026	4.27
18	A"	843	802	30.43
19	A"	621	590	143.22
20	A"	524	498	22.79
21	A"	129	123	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.943	-1.038	0.000
N3	0.253	1.381	0.000
O4	-1.293	-0.285	0.000
H5	1.978	-0.703	0.000
H6	0.763	-1.657	0.881
H7	0.763	-1.657	-0.881
H8	1.254	1.553	0.000
H9	-1.840	0.518	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5019	1.2757	1.3584	2.1467	2.1336	2.1336	1.8965	1.8798
C2	1.5019		2.5160	2.3596	1.0883	1.0911	1.0911	2.6100	3.1880
N3	1.2757	2.5160		2.2728	2.7056	3.2038	3.2038	1.0163	2.2636
O4	1.3584	2.3596	2.2728		3.2981	2.6239	2.6239	3.1414	0.9708
H5	2.1467	1.0883	2.7056	3.2981		1.7784	1.7784	2.3691	4.0082
H6	2.1336	1.0911	3.2038	2.6239	1.7784		1.7613	3.3645	3.5037
H7	2.1336	1.0911	3.2038	2.6239	1.7784	1.7613		3.3645	3.5037
H8	1.8965	2.6100	1.0163	3.1414	2.3691	3.3645	3.3645		3.2627
H9	1.8798	3.1880	2.2636	0.9708	4.0082	3.5037	3.5037	3.2627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.935	C1	C2	H6	109.728
C1	C2	H7	109.728	C1	N3	H8	111.165
C1	O4	H9	106.434	C2	C1	N3	129.682
C2	C1	O4	111.073	N3	C1	O4	119.245
H5	C2	H6	109.374	H5	C2	H7	109.374
H6	C2	H7	107.637

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

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

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