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	hartrees
Energy at 0K	-208.744462
Energy at 298.15K	-208.750875
HF Energy	-207.981852
Nuclear repulsion energy	122.134071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3797	3569	61.70
2	A'	3603	3387	6.95
3	A'	3245	3050	5.55
4	A'	3130	2942	2.60
5	A'	1768	1662	170.92
6	A'	1523	1432	22.74
7	A'	1476	1387	71.67
8	A'	1411	1326	0.63
9	A'	1273	1196	100.45
10	A'	1118	1051	171.65
11	A'	1035	973	27.93
12	A'	897	843	0.83
13	A'	554	520	41.53
14	A'	425	399	1.53
15	A"	3220	3026	1.88
16	A"	1514	1423	7.47
17	A"	1089	1023	8.51
18	A"	870	818	22.83
19	A"	648	609	122.67
20	A"	538	505	18.24
21	A"	138	130	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.917	-1.047	0.000
N3	0.275	1.372	0.000
O4	-1.288	-0.266	0.000
H5	1.957	-0.738	0.000
H6	0.722	-1.661	0.877
H7	0.722	-1.661	-0.877
H8	1.279	1.514	0.000
H9	-1.802	0.553	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4937	1.2698	1.3478	2.1421	2.1232	2.1232	1.8825	1.8504
C2	1.4937		2.5028	2.3387	1.0858	1.0886	1.0886	2.5863	3.1545
N3	1.2698	2.5028		2.2636	2.6985	3.1892	3.1892	1.0140	2.2324
O4	1.3478	2.3387	2.2636		3.2793	2.5993	2.5993	3.1231	0.9669
H5	2.1421	1.0858	2.6985	3.2793		1.7746	1.7746	2.3515	3.9748
H6	2.1232	1.0886	3.1892	2.5993	1.7746		1.7549	3.3408	3.4704
H7	2.1232	1.0886	3.1892	2.5993	1.7746	1.7549		3.3408	3.4704
H8	1.8825	2.5863	1.0140	3.1231	2.3515	3.3408	3.3408		3.2271
H9	1.8504	3.1545	2.2324	0.9669	3.9748	3.4704	3.4704	3.2271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.302	C1	C2	H6	109.619
C1	C2	H7	109.619	C1	N3	H8	110.537
C1	O4	H9	104.952	C2	C1	N3	129.644
C2	C1	O4	110.679	N3	C1	O4	119.677
H5	C2	H6	109.399	H5	C2	H7	109.399
H6	C2	H7	107.420

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

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