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	hartrees
Energy at 0K	-208.275603
Energy at 298.15K	-208.281941
HF Energy	-207.851593
Nuclear repulsion energy	119.426620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3595	3416	30.32
2	A'	3474	3301	4.40
3	A'	3177	3018	13.93
4	A'	3080	2926	6.76
5	A'	1705	1620	115.72
6	A'	1563	1485	30.13
7	A'	1488	1414	28.97
8	A'	1441	1369	23.45
9	A'	1252	1189	88.97
10	A'	1107	1052	106.40
11	A'	1030	978	152.21
12	A'	859	816	5.68
13	A'	543	516	43.63
14	A'	425	404	3.97
15	A"	3168	3010	7.13
16	A"	1547	1470	8.06
17	A"	1125	1069	7.50
18	A"	874	830	44.54
19	A"	627	595	206.98
20	A"	524	498	15.06
21	A"	118	112	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	1.081	-0.923	0.000
N3	0.076	1.425	0.000
O4	-1.269	-0.462	0.000
H5	2.072	-0.454	0.000
H6	0.981	-1.560	0.887
H7	0.981	-1.560	-0.887
H8	1.036	1.788	0.000
H9	-1.945	0.254	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5102	1.2953	1.4005	2.1534	2.1475	2.1475	1.9535	1.9484
C2	1.5102		2.5534	2.3947	1.0962	1.0971	1.0971	2.7105	3.2468
N3	1.2953	2.5534		2.3166	2.7410	3.2426	3.2426	1.0265	2.3350
O4	1.4005	2.3947	2.3166		3.3409	2.6562	2.6562	3.2206	0.9849
H5	2.1534	1.0962	2.7410	3.3409		1.7892	1.7892	2.4692	4.0788
H6	2.1475	1.0971	3.2426	2.6562	1.7892		1.7746	3.4636	3.5553
H7	2.1475	1.0971	3.2426	2.6562	1.7892	1.7746		3.4636	3.5553
H8	1.9535	2.7105	1.0265	3.2206	2.4692	3.4636	3.4636		3.3520
H9	1.9484	3.2468	2.3350	0.9849	4.0788	3.5553	3.5553	3.3520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.410	C1	C2	H6	109.891
C1	C2	H7	109.891	C1	N3	H8	114.075
C1	O4	H9	108.274	C2	C1	N3	130.900
C2	C1	O4	110.662	N3	C1	O4	118.438
H5	C2	H6	109.325	H5	C2	H7	109.325
H6	C2	H7	107.955

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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