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	hartrees
Energy at 0K	-208.663749
Energy at 298.15K	-208.670102
HF Energy	-207.991780
Nuclear repulsion energy	120.877068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3740	3625	60.51
2	A'	3536	3427	7.51
3	A'	3203	3104	8.24
4	A'	3086	2990	5.36
5	A'	1722	1669	191.51
6	A'	1477	1432	18.25
7	A'	1435	1391	67.18
8	A'	1372	1329	0.86
9	A'	1257	1218	85.43
10	A'	1106	1072	172.91
11	A'	1010	979	40.33
12	A'	879	852	1.62
13	A'	545	528	38.35
14	A'	421	408	2.12
15	A"	3176	3078	3.76
16	A"	1466	1421	8.21
17	A"	1055	1023	3.04
18	A"	842	816	26.05
19	A"	614	595	118.09
20	A"	527	511	14.98
21	A"	132	128	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.130	0.000
C2	0.959	-1.029	0.000
N3	0.235	1.393	0.000
O4	-1.295	-0.305	0.000
H5	1.997	-0.676	0.000
H6	0.782	-1.653	0.888
H7	0.782	-1.653	-0.888
H8	1.244	1.561	0.000
H9	-1.842	0.500	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5037	1.2854	1.3657	2.1529	2.1393	2.1393	1.8961	1.8785
C2	1.5037		2.5281	2.3668	1.0965	1.0996	1.0996	2.6053	3.1904
N3	1.2854	2.5281		2.2857	2.7175	3.2198	3.2198	1.0227	2.2606
O4	1.3657	2.3668	2.2857		3.3122	2.6300	2.6300	3.1504	0.9730
H5	2.1529	1.0965	2.7175	3.3122		1.7944	1.7944	2.3597	4.0143
H6	2.1393	1.0996	3.2198	2.6300	1.7944		1.7759	3.3659	3.5077
H7	2.1393	1.0996	3.2198	2.6300	1.7944	1.7759		3.3659	3.5077
H8	1.8961	2.6053	1.0227	3.1504	2.3597	3.3659	3.3659		3.2627
H9	1.8785	3.1904	2.2606	0.9730	4.0143	3.5077	3.5077	3.2627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.811	C1	C2	H6	109.546
C1	C2	H7	109.546	C1	N3	H8	109.946
C1	O4	H9	105.643	C2	C1	N3	129.864
C2	C1	O4	111.052	N3	C1	O4	119.084
H5	C2	H6	109.586	H5	C2	H7	109.586
H6	C2	H7	107.708

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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