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	hartrees
Energy at 0K	-338.604283
Energy at 298.15K	-338.610484
HF Energy	-338.604283
Nuclear repulsion energy	232.727108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3701	3551	0.00
2	A_g	3560	3415	0.00
3	A_g	1816	1742	0.00
4	A_g	1607	1542	0.00
5	A_g	1421	1363	0.00
6	A_g	1103	1058	0.00
7	A_g	769	737	0.00
8	A_g	527	505	0.00
9	A_g	387	372	0.00
10	A_u	692	664	0.49
11	A_u	469	450	191.15
12	A_u	330	317	367.21
13	A_u	95	91	0.59
14	B_g	807	775	0.00
15	B_g	677	650	0.00
16	B_g	329	316	0.00
17	B_u	3702	3551	143.96
18	B_u	3560	3415	103.50
19	B_u	1786	1713	553.71
20	B_u	1612	1547	315.53
21	B_u	1320	1266	129.08
22	B_u	1094	1050	10.01
23	B_u	561	538	21.20
24	B_u	268	257	39.86

Atom	x (Å)	y (Å)
C1	-0.057	0.757
C2	0.057	-0.757
O3	-1.152	1.325
O4	1.152	-1.325
N5	1.152	1.356
N6	-1.152	-1.356
H7	1.198	2.364
H8	1.996	0.797
H9	-1.198	-2.364
H10	-1.996	-0.797

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5179	1.2337	2.4070	1.3489	2.3796	2.0392	2.0534	3.3232	2.4854
C2	1.5179		2.4070	1.2337	2.3796	1.3489	3.3232	2.4854	2.0392	2.0534
O3	1.2337	2.4070		3.5111	2.3040	2.6806	2.5698	3.1921	3.6892	2.2838
O4	2.4070	1.2337	3.5111		2.6806	2.3040	3.6892	2.2838	2.5698	3.1921
N5	1.3489	2.3796	2.3040	2.6806		3.5581	1.0094	1.0124	4.4002	3.8140
N6	2.3796	1.3489	2.6806	2.3040	3.5581		4.4002	3.8140	1.0094	1.0124
H7	2.0392	3.3232	2.5698	3.6892	1.0094	4.4002		1.7584	5.3010	4.4944
H8	2.0534	2.4854	3.1921	2.2838	1.0124	3.8140	1.7584		4.4944	4.2992
H9	3.3232	2.0392	3.6892	2.5698	4.4002	1.0094	5.3010	4.4944		1.7584
H10	2.4854	2.0534	2.2838	3.1921	3.8140	1.0124	4.4944	4.2992	1.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.696	C1	C2	N6	112.080
C1	N5	H7	118.999	C1	N5	H8	120.151
C2	C1	O3	121.696	C2	C1	N5	112.080
C2	N6	H9	118.999	C2	N6	H10	120.151
O3	C1	N5	126.225	O4	C2	N6	126.225
H7	N5	H8	120.850	H9	N6	H10	120.850

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: TPSSh/6-31G*

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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Number	Element	Mulliken
1	C	0.558
2	C	0.558
3	O	-0.532
4	O	-0.532
5	N	-0.769
6	N	-0.769
7	H	0.361
8	H	0.382
9	H	0.361
10	H	0.382

	x	y	z
x	7.665	0.524	0.000
y	0.524	6.377	0.000
z	0.000	0.000	2.596

<r²>	144.517
(<r²>)^1/2	12.022

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)