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	hartrees
Energy at 0K	-207.169540
Energy at 298.15K	-207.175921
HF Energy	-206.785238
Nuclear repulsion energy	120.477156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3641	3427	19.54
2	A'	3488	3283	0.84
3	A'	3211	3022	12.22
4	A'	3130	2947	4.02
5	A'	1800	1695	138.19
6	A'	1595	1502	31.18
7	A'	1510	1422	40.98
8	A'	1483	1396	23.75
9	A'	1296	1220	104.53
10	A'	1127	1061	129.72
11	A'	1044	982	136.19
12	A'	857	806	0.63
13	A'	554	522	43.50
14	A'	415	391	3.36
15	A"	3195	3007	5.92
16	A"	1588	1495	7.21
17	A"	1155	1087	14.29
18	A"	909	856	42.65
19	A"	641	603	168.06
20	A"	529	498	32.19
21	A"	117	111	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.142	0.000
C2	1.041	-0.956	0.000
N3	0.129	1.402	0.000
O4	-1.273	-0.412	0.000
H5	2.046	-0.535	0.000
H6	0.904	-1.583	0.883
H7	0.904	-1.583	-0.883
H8	1.094	1.740	0.000
H9	-1.917	0.334	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5131	1.2670	1.3879	2.1550	2.1381	2.1381	1.9366	1.9266
C2	1.5131		2.5288	2.3767	1.0898	1.0915	1.0915	2.6966	3.2271
N3	1.2670	2.5288		2.2927	2.7254	3.2079	3.2079	1.0224	2.3082
O4	1.3879	2.3767	2.2927		3.3209	2.6246	2.6246	3.1988	0.9858
H5	2.1550	1.0898	2.7254	3.3209		1.7838	1.7838	2.4658	4.0571
H6	2.1381	1.0915	3.2079	2.6246	1.7838		1.7670	3.4430	3.5231
H7	2.1381	1.0915	3.2079	2.6246	1.7838	1.7670		3.4430	3.5231
H8	1.9366	2.6966	1.0224	3.1988	2.4658	3.4430	3.4430		3.3232
H9	1.9266	3.2271	2.3082	0.9858	4.0571	3.5231	3.5231	3.3232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.720	C1	C2	H6	109.278
C1	C2	H7	109.278	C1	N3	H8	115.120
C1	O4	H9	107.294	C2	C1	N3	130.687
C2	C1	O4	109.941	N3	C1	O4	119.372
H5	C2	H6	109.719	H5	C2	H7	109.719
H6	C2	H7	108.079

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

using model chemistry: CISD/3-21G

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/3-21G

States and conformations

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