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	hartrees
Energy at 0K	-208.708888
Energy at 298.15K	-208.715209
HF Energy	-207.990807
Nuclear repulsion energy	120.394533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3736	3653
2	A'	3488	3411
3	A'	3141	3072
4	A'	3037	2969
5	A'	1713	1675
6	A'	1468	1436
7	A'	1430	1399
8	A'	1370	1340
9	A'	1267	1239
10	A'	1108	1083
11	A'	1004	981
12	A'	863	844
13	A'	540	528
14	A'	414	405
15	A"	3115	3046
16	A"	1455	1423
17	A"	1049	1025
18	A"	839	820
19	A"	599	586
20	A"	514	503
21	A"	133	130

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.131	0.000
C2	0.955	-1.043	0.000
N3	0.249	1.395	0.000
O4	-1.305	-0.292	0.000
H5	2.000	-0.694	0.000
H6	0.773	-1.667	0.893
H7	0.773	-1.667	-0.893
H8	1.263	1.550	0.000
H9	-1.844	0.518	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5132	1.2878	1.3718	2.1633	2.1514	2.1514	1.8997	1.8843
C2	1.5132		2.5374	2.3814	1.1015	1.1045	1.1045	2.6109	3.2048
N3	1.2878	2.5374		2.2934	2.7251	3.2321	3.2321	1.0257	2.2695
O4	1.3718	2.3814	2.2934		3.3292	2.6470	2.6470	3.1603	0.9729
H5	2.1633	1.1015	2.7251	3.3292		1.8026	1.8026	2.3617	4.0305
H6	2.1514	1.1045	3.2321	2.6470	1.8026		1.7852	3.3746	3.5245
H7	2.1514	1.1045	3.2321	2.6470	1.8026	1.7852		3.3746	3.5245
H8	1.8997	2.6109	1.0257	3.1603	2.3617	3.3746	3.3746		3.2741
H9	1.8843	3.2048	2.2695	0.9729	4.0305	3.5245	3.5245	3.2741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.672	C1	C2	H6	109.556
C1	C2	H7	109.556	C1	N3	H8	109.873
C1	O4	H9	105.694	C2	C1	N3	129.709
C2	C1	O4	111.173	N3	C1	O4	119.118
H5	C2	H6	109.591	H5	C2	H7	109.591
H6	C2	H7	107.823

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVDZ

States and conformations

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