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	hartrees
Energy at 0K	-209.047388
Energy at 298.15K	-209.041778
HF Energy	-207.953327
Nuclear repulsion energy	122.790739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4059	3824	92.84
2	A'	3787	3568	2.83
3	A'	3315	3123	21.23
4	A'	3226	3040	8.26
5	A'	1937	1825	328.57
6	A'	1629	1535	26.58
7	A'	1596	1504	77.98
8	A'	1531	1443	14.87
9	A'	1396	1315	108.12
10	A'	1220	1149	205.11
11	A'	1122	1057	41.72
12	A'	939	885	0.50
13	A'	598	564	45.61
14	A'	456	430	1.75
15	A"	3292	3101	12.20
16	A"	1617	1524	5.65
17	A"	1184	1116	13.81
18	A"	940	886	38.22
19	A"	676	637	156.44
20	A"	559	527	43.96
21	A"	147	138	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.963	-1.018	0.000
N3	0.218	1.390	0.000
O4	-1.284	-0.318	0.000
H5	1.994	-0.663	0.000
H6	0.794	-1.640	0.882
H7	0.794	-1.640	-0.882
H8	1.220	1.582	0.000
H9	-1.836	0.491	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4990	1.2777	1.3600	2.1464	2.1316	2.1316	1.8957	1.8709
C2	1.4990		2.5202	2.3537	1.0905	1.0925	1.0925	2.6119	3.1798
N3	1.2777	2.5202		2.2740	2.7144	3.2076	3.2076	1.0205	2.2419
O4	1.3600	2.3537	2.2740		3.2963	2.6159	2.6159	3.1430	0.9791
H5	2.1464	1.0905	2.7144	3.2963		1.7816	1.7816	2.3739	4.0002
H6	2.1316	1.0925	3.2076	2.6159	1.7816		1.7636	3.3671	3.4977
H7	2.1316	1.0925	3.2076	2.6159	1.7816	1.7636		3.3671	3.4977
H8	1.8957	2.6119	1.0205	3.1430	2.3739	3.3671	3.3671		3.2449
H9	1.8709	3.1798	2.2419	0.9791	4.0002	3.4977	3.4977	3.2449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.278	C1	C2	H6	109.569
C1	C2	H7	109.569	C1	N3	H8	112.079
C1	O4	H9	107.661	C2	C1	N3	129.051
C2	C1	O4	111.053	N3	C1	O4	119.897
H5	C2	H6	109.362	H5	C2	H7	109.362
H6	C2	H7	107.625

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

using model chemistry: G3

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: G3

States and conformations

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