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	hartrees
Energy at 0K	-208.725586
Energy at 298.15K	-208.732096
HF Energy	-208.041640
Nuclear repulsion energy	122.870883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3978	3698	78.00
2	A'	3699	3439	8.60
3	A'	3263	3034	11.38
4	A'	3163	2941	4.94
5	A'	1854	1723	263.60
6	A'	1556	1447	26.36
7	A'	1524	1417	76.28
8	A'	1455	1353	2.25
9	A'	1326	1233	94.67
10	A'	1169	1087	191.79
11	A'	1071	996	34.35
12	A'	918	854	0.74
13	A'	577	536	42.86
14	A'	442	411	1.70
15	A"	3236	3008	5.92
16	A"	1542	1434	7.63
17	A"	1127	1048	8.08
18	A"	900	837	29.20
19	A"	650	604	109.80
20	A"	547	508	38.05
21	A"	142	132	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	0.888	-1.067	0.000
N3	0.316	1.347	0.000
O4	-1.293	-0.219	0.000
H5	1.928	-0.779	0.000
H6	0.680	-1.671	0.873
H7	0.680	-1.671	-0.873
H8	1.313	1.459	0.000
H9	-1.796	0.591	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4925	1.2549	1.3404	2.1330	2.1163	2.1163	1.8662	1.8537
C2	1.4925		2.4809	2.3404	1.0791	1.0820	1.0820	2.5611	3.1551
N3	1.2549	2.4809		2.2458	2.6685	3.1631	3.1631	1.0034	2.2431
O4	1.3404	2.3404	2.2458		3.2699	2.6011	2.6011	3.0999	0.9539
H5	2.1330	1.0791	2.6685	3.2699		1.7650	1.7650	2.3210	3.9685
H6	2.1163	1.0820	3.1631	2.6011	1.7650		1.7463	3.3104	3.4661
H7	2.1163	1.0820	3.1631	2.6011	1.7650	1.7463		3.3104	3.4661
H8	1.8662	2.5611	1.0034	3.0999	2.3210	3.3104	3.3104		3.2278
H9	1.8537	3.1551	2.2431	0.9539	3.9685	3.4661	3.4661	3.2278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.061	C1	C2	H6	109.542
C1	C2	H7	109.542	C1	N3	H8	110.965
C1	O4	H9	106.574	C2	C1	N3	128.900
C2	C1	O4	111.296	N3	C1	O4	119.804
H5	C2	H6	109.514	H5	C2	H7	109.514
H6	C2	H7	107.598

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

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

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