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	hartrees
Energy at 0K	-208.838623
Energy at 298.15K	-208.845023
HF Energy	-208.038945
Nuclear repulsion energy	121.927574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3839	3661	59.68
2	A'	3577	3411	6.43
3	A'	3169	3023	10.51
4	A'	3071	2929	5.61
5	A'	1766	1684	233.42
6	A'	1510	1440	19.07
7	A'	1469	1401	64.85
8	A'	1411	1345	3.20
9	A'	1283	1223	86.07
10	A'	1128	1076	177.06
11	A'	1035	987	39.33
12	A'	886	845	0.83
13	A'	557	532	39.93
14	A'	426	406	1.83
15	A"	3143	2997	5.65
16	A"	1499	1429	7.68
17	A"	1082	1032	4.59
18	A"	864	824	26.75
19	A"	620	591	110.83
20	A"	525	500	28.83
21	A"	139	132	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.909	-1.062	0.000
N3	0.296	1.364	0.000
O4	-1.298	-0.241	0.000
H5	1.953	-0.757	0.000
H6	0.709	-1.674	0.880
H7	0.709	-1.674	-0.880
H8	1.301	1.493	0.000
H9	-1.814	0.572	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5005	1.2677	1.3504	2.1452	2.1303	2.1303	1.8835	1.8667
C2	1.5005		2.5028	2.3545	1.0873	1.0903	1.0903	2.5855	3.1756
N3	1.2677	2.5028		2.2624	2.6915	3.1902	3.1902	1.0136	2.2539
O4	1.3504	2.3545	2.2624		3.2910	2.6182	2.6182	3.1249	0.9632
H5	2.1452	1.0873	2.6915	3.2910		1.7781	1.7781	2.3425	3.9940
H6	2.1303	1.0903	3.1902	2.6182	1.7781		1.7601	3.3403	3.4907
H7	2.1303	1.0903	3.1902	2.6182	1.7781	1.7601		3.3403	3.4907
H8	1.8835	2.5855	1.0136	3.1249	2.3425	3.3403	3.3403		3.2488
H9	1.8667	3.1756	2.2539	0.9632	3.9940	3.4907	3.4907	3.2488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.971	C1	C2	H6	109.603
C1	C2	H7	109.603	C1	N3	H8	110.806
C1	O4	H9	106.371	C2	C1	N3	129.221
C2	C1	O4	111.247	N3	C1	O4	119.533
H5	C2	H6	109.479	H5	C2	H7	109.479
H6	C2	H7	107.641

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

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

States and conformations

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