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	hartrees
Energy at 0K	-208.292682
Energy at 298.15K	-208.299026
HF Energy	-207.852557
Nuclear repulsion energy	119.571361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3648	3500	23.92
2	A'	3466	3326	3.82
3	A'	3127	3000	16.33
4	A'	3040	2917	7.82
5	A'	1763	1692	130.35
6	A'	1548	1486	22.84
7	A'	1483	1423	38.53
8	A'	1451	1392	10.81
9	A'	1279	1227	94.06
10	A'	1112	1067	138.21
11	A'	1037	995	113.38
12	A'	863	828	5.05
13	A'	546	524	44.05
14	A'	424	407	3.95
15	A"	3117	2991	9.43
16	A"	1528	1466	7.47
17	A"	1119	1074	9.32
18	A"	895	858	48.13
19	A"	606	581	195.81
20	A"	517	496	26.29
21	A"	125	120	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.134	0.000
C2	1.059	-0.947	0.000
N3	0.115	1.415	0.000
O4	-1.281	-0.426	0.000
H5	2.065	-0.503	0.000
H6	0.942	-1.584	0.890
H7	0.942	-1.584	-0.890
H8	1.083	1.756	0.000
H9	-1.944	0.296	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5137	1.2864	1.3982	2.1610	2.1525	2.1525	1.9502	1.9511
C2	1.5137		2.5443	2.3973	1.0999	1.1008	1.1008	2.7035	3.2506
N3	1.2864	2.5443		2.3109	2.7352	3.2364	3.2364	1.0262	2.3441
O4	1.3982	2.3973	2.3109		3.3469	2.6600	2.6600	3.2173	0.9806
H5	2.1610	1.0999	2.7352	3.3469		1.7953	1.7953	2.4630	4.0882
H6	2.1525	1.1008	3.2364	2.6600	1.7953		1.7805	3.4597	3.5581
H7	2.1525	1.1008	3.2364	2.6600	1.7953	1.7805		3.4597	3.5581
H8	1.9502	2.7035	1.0262	3.2173	2.4630	3.4597	3.4597		3.3612
H9	1.9511	3.2506	2.3441	0.9806	4.0882	3.5581	3.5581	3.3612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.554	C1	C2	H6	109.821
C1	C2	H7	109.821	C1	N3	H8	114.520
C1	O4	H9	108.947	C2	C1	N3	130.470
C2	C1	O4	110.770	N3	C1	O4	118.760
H5	C2	H6	109.328	H5	C2	H7	109.328
H6	C2	H7	107.942

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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