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	hartrees
Energy at 0K	-208.684588
Energy at 298.15K	-208.690946
HF Energy	-207.991961
Nuclear repulsion energy	120.734156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3782	3664	51.74
2	A'	3528	3418	4.60
3	A'	3159	3060	12.47
4	A'	3057	2961	7.19
5	A'	1748	1693	216.97
6	A'	1481	1435	17.82
7	A'	1448	1402	56.48
8	A'	1385	1342	0.76
9	A'	1283	1242	80.57
10	A'	1122	1087	175.39
11	A'	1016	985	39.29
12	A'	876	848	1.44
13	A'	548	530	37.68
14	A'	421	407	2.06
15	A"	3134	3036	7.20
16	A"	1467	1421	6.85
17	A"	1063	1030	3.33
18	A"	852	825	28.24
19	A"	605	586	109.10
20	A"	522	506	23.45
21	A"	133	129	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.132	0.000
C2	0.946	-1.046	0.000
N3	0.259	1.388	0.000
O4	-1.303	-0.281	0.000
H5	1.992	-0.707	0.000
H6	0.759	-1.669	0.891
H7	0.759	-1.669	-0.891
H8	1.270	1.539	0.000
H9	-1.842	0.525	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5109	1.2819	1.3672	2.1611	2.1479	2.1479	1.8957	1.8831
C2	1.5109		2.5289	2.3751	1.0998	1.1028	1.1028	2.6058	3.1997
N3	1.2819	2.5289		2.2861	2.7182	3.2226	3.2226	1.0227	2.2707
O4	1.3672	2.3751	2.2861		3.3220	2.6403	2.6403	3.1524	0.9700
H5	2.1611	1.0998	2.7182	3.3220		1.7996	1.7996	2.3588	4.0263
H6	2.1479	1.1028	3.2226	2.6403	1.7996		1.7822	3.3683	3.5172
H7	2.1479	1.1028	3.2226	2.6403	1.7996	1.7822		3.3683	3.5172
H8	1.8957	2.6058	1.0227	3.1524	2.3588	3.3683	3.3683		3.2730
H9	1.8831	3.1997	2.2707	0.9700	4.0263	3.5172	3.5172	3.2730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.757	C1	C2	H6	109.537
C1	C2	H7	109.537	C1	N3	H8	110.174
C1	O4	H9	106.109	C2	C1	N3	129.603
C2	C1	O4	111.130	N3	C1	O4	119.268
H5	C2	H6	109.575	H5	C2	H7	109.575
H6	C2	H7	107.808

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

using model chemistry: QCISD/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/aug-cc-pVDZ

States and conformations

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