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	hartrees
Energy at 0K	-208.241291
Energy at 298.15K	-208.247713
HF Energy	-207.855010
Nuclear repulsion energy	120.354726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3521	37.35
2	A'	3579	3357	3.48
3	A'	3205	3005	15.54
4	A'	3116	2922	6.47
5	A'	1804	1692	179.27
6	A'	1579	1481	26.66
7	A'	1519	1425	42.05
8	A'	1479	1387	17.95
9	A'	1301	1220	101.35
10	A'	1135	1065	144.03
11	A'	1065	999	123.40
12	A'	888	833	3.31
13	A'	558	523	46.38
14	A'	433	406	3.67
15	A"	3192	2994	7.92
16	A"	1562	1465	8.28
17	A"	1148	1077	12.13
18	A"	908	852	51.76
19	A"	634	594	206.72
20	A"	536	502	30.47
21	A"	128	120	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.133	0.000
C2	1.044	-0.953	0.000
N3	0.129	1.405	0.000
O4	-1.276	-0.409	0.000
H5	2.048	-0.524	0.000
H6	0.919	-1.585	0.884
H7	0.919	-1.585	-0.884
H8	1.089	1.743	0.000
H9	-1.936	0.306	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5063	1.2779	1.3863	2.1508	2.1400	2.1400	1.9435	1.9435
C2	1.5063		2.5287	2.3822	1.0924	1.0937	1.0937	2.6964	3.2343
N3	1.2779	2.5287		2.2944	2.7204	3.2162	3.2162	1.0176	2.3395
O4	1.3863	2.3822	2.2944		3.3258	2.6425	2.6425	3.1975	0.9728
H5	2.1508	1.0924	2.7204	3.3258		1.7837	1.7837	2.4613	4.0693
H6	2.1400	1.0937	3.2162	2.6425	1.7837		1.7679	3.4477	3.5367
H7	2.1400	1.0937	3.2162	2.6425	1.7837	1.7679		3.4477	3.5367
H8	1.9435	2.6964	1.0176	3.1975	2.4613	3.4477	3.4477		3.3491
H9	1.9435	3.2343	2.3395	0.9728	4.0693	3.5367	3.5367	3.3491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.710	C1	C2	H6	109.763
C1	C2	H7	109.763	C1	N3	H8	115.227
C1	O4	H9	109.699	C2	C1	N3	130.344
C2	C1	O4	110.816	N3	C1	O4	118.840
H5	C2	H6	109.357	H5	C2	H7	109.357
H6	C2	H7	107.838

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

using model chemistry: CISD/6-31G

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/6-31G

States and conformations

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