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	hartrees
Energy at 0K	-209.132417
Energy at 298.15K	-209.138815
HF Energy	-208.861008
Nuclear repulsion energy	121.990077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3765	3599	53.64
2	A'	3546	3389	4.38
3	A'	3167	3027	10.91
4	A'	3075	2939	5.80
5	A'	1741	1664	212.01
6	A'	1502	1435	24.35
7	A'	1453	1389	62.43
8	A'	1400	1339	2.32
9	A'	1266	1210	88.02
10	A'	1111	1061	174.91
11	A'	1025	980	48.85
12	A'	878	840	1.16
13	A'	553	528	39.53
14	A'	427	408	1.73
15	A"	3137	2998	5.74
16	A"	1491	1425	8.15
17	A"	1080	1032	6.15
18	A"	851	814	24.88
19	A"	635	607	113.20
20	A"	529	506	23.90
21	A"	137	131	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.925	-1.044	0.000
N3	0.272	1.368	0.000
O4	-1.294	-0.265	0.000
H5	1.961	-0.724	0.000
H6	0.737	-1.660	0.877
H7	0.737	-1.660	-0.877
H8	1.274	1.520	0.000
H9	-1.818	0.547	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4961	1.2669	1.3531	2.1398	2.1262	2.1262	1.8849	1.8653
C2	1.4961		2.4997	2.3519	1.0844	1.0877	1.0877	2.5885	3.1718
N3	1.2669	2.4997		2.2632	2.6893	3.1870	3.1870	1.0128	2.2465
O4	1.3531	2.3519	2.2632		3.2873	2.6151	2.6151	3.1275	0.9668
H5	2.1398	1.0844	2.6893	3.2873		1.7729	1.7729	2.3477	3.9878
H6	2.1262	1.0877	3.1870	2.6151	1.7729		1.7535	3.3426	3.4886
H7	2.1262	1.0877	3.1870	2.6151	1.7729	1.7535		3.3426	3.4886
H8	1.8849	2.5885	1.0128	3.1275	2.3477	3.3426	3.3426		3.2419
H9	1.8653	3.1718	2.2465	0.9668	3.9878	3.4886	3.4886	3.2419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.031	C1	C2	H6	109.742
C1	C2	H7	109.742	C1	N3	H8	111.050
C1	O4	H9	105.828	C2	C1	N3	129.378
C2	C1	O4	111.167	N3	C1	O4	119.455
H5	C2	H6	109.416	H5	C2	H7	109.416
H6	C2	H7	107.420

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

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