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State	Conformation	minimum conformation	conformer description	state description
1	1	no	H out	¹A^'
1	2	yes	H in	¹A^'

	hartrees
Energy at 0K	-357.789361
Energy at 298.15K	-357.794362
HF Energy	-356.643111
Nuclear repulsion energy	232.355223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3816	3620	89.75
2	A	3789	3594	81.57
3	A	3646	3458	72.84
4	A	1834	1739	125.14
5	A	1814	1721	372.20
6	A	1616	1533	102.97
7	A	1451	1377	18.99
8	A	1338	1270	55.28
9	A	1205	1143	300.25
10	A	1101	1044	2.78
11	A	832	789	6.06
12	A	794	753	6.56
13	A	668	634	118.38
14	A	626	594	57.15
15	A	609	577	41.70
16	A	538	510	1.33
17	A	426	404	2.55
18	A	420	399	4.56
19	A	296	281	237.05
20	A	271	257	19.65
21	A	64	60	1.16

	hartrees
Energy at 0K	-357.794849
Energy at 298.15K	-357.799913
Nuclear repulsion energy	233.853837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3590	96.85
2	A'	3672	3483	157.03
3	A'	3640	3453	84.85
4	A'	1860	1764	204.58
5	A'	1820	1726	269.97
6	A'	1615	1532	62.36
7	A'	1470	1394	203.52
8	A'	1366	1295	334.43
9	A'	1228	1165	14.24
10	A'	1101	1045	2.94
11	A'	816	774	10.64
12	A'	636	603	13.09
13	A'	552	524	2.06
14	A'	409	388	6.84
15	A'	275	261	40.26
16	A"	824	781	2.23
17	A"	733	696	105.27
18	A"	659	625	5.95
19	A"	449	426	29.95
20	A"	233	221	219.58
21	A"	92	87	4.34

All results from a given calculation for C₂H₃NO₃ (Oxamic acid)

using model chemistry: MP2=FULL/6-311G**

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Atom	x (Å)	y (Å)
C1	0.007	-0.794
C2	0.000	0.746
O3	-1.069	1.346
O4	1.018	-1.454
O5	-1.230	-1.281
N6	1.232	1.279
H7	1.348	2.278
H8	2.028	0.662
H9	-1.798	-0.490

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5397	2.3950	1.2070	1.3298	2.4071	3.3518	2.4897	1.8310
C2	1.5397		1.2257	2.4238	2.3712	1.3421	2.0411	2.0293	2.1817
O3	2.3950	1.2257		3.4918	2.6322	2.3017	2.5910	3.1712	1.9749
O4	1.2070	2.4238	3.4918		2.2542	2.7409	3.7466	2.3439	2.9765
O5	1.3298	2.3712	2.6322	2.2542		3.5516	4.3952	3.7927	0.9748
N6	2.4071	1.3421	2.3017	2.7409	3.5516		1.0062	1.0071	3.5082
H7	3.3518	2.0411	2.5910	3.7466	4.3952	1.0062		1.7534	4.1906
H8	2.4897	2.0293	3.1712	2.3439	3.7927	1.0071	1.7534		3.9951
H9	1.8310	2.1817	1.9749	2.9765	0.9748	3.5082	4.1906	3.9951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	119.577	C1	C2	N6	113.114
C1	O5	H9	104.154	C2	C1	O4	123.430
C2	C1	O5	111.242	C2	N6	H7	120.048
C2	N6	H8	118.810	O3	C2	N6	127.309
O4	C1	O5	125.328	H7	N6	H8	121.142

All results from a given calculation for C2H3NO3 (Oxamic acid)

using model chemistry: MP2=FULL/6-311G**

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

All results from a given calculation for C₂H₃NO₃ (Oxamic acid)