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	hartrees
Energy at 0K	-338.601298
Energy at 298.15K	-338.607540
Nuclear repulsion energy	232.838464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3720	3564	0.00
2	A_g	3585	3435	0.00
3	A_g	1827	1751	0.00
4	A_g	1612	1544	0.00
5	A_g	1425	1365	0.00
6	A_g	1112	1065	0.00
7	A_g	770	738	0.00
8	A_g	532	510	0.00
9	A_g	398	382	0.00
10	A_u	687	658	0.82
11	A_u	480	460	198.90
12	A_u	327	313	357.40
13	A_u	93	89	0.77
14	B_g	816	782	0.00
15	B_g	670	642	0.00
16	B_g	332	318	0.00
17	B_u	3721	3565	150.43
18	B_u	3585	3435	116.60
19	B_u	1799	1723	565.68
20	B_u	1613	1545	332.74
21	B_u	1324	1268	130.40
22	B_u	1103	1057	9.01
23	B_u	574	550	22.92
24	B_u	278	266	39.30

Atom	x (Å)	y (Å)
C1	-0.061	0.771
C2	0.061	-0.771
O3	-1.150	1.334
O4	1.150	-1.334
N5	1.150	1.364
N6	-1.150	-1.364
H7	1.224	2.370
H8	1.973	0.776
H9	-1.224	-2.370
H10	-1.973	-0.776

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5466	1.2258	2.4285	1.3481	2.3965	2.0516	2.0339	3.3496	2.4596
C2	1.5466		2.4285	1.2258	2.3965	1.3481	3.3496	2.4596	2.0516	2.0339
O3	1.2258	2.4285		3.5225	2.2994	2.6984	2.5898	3.1719	3.7053	2.2657
O4	2.4285	1.2258	3.5225		2.6984	2.2994	3.7053	2.2657	2.5898	3.1719
N5	1.3481	2.3965	2.2994	2.6984		3.5678	1.0090	1.0115	4.4248	3.7858
N6	2.3965	1.3481	2.6984	2.2994	3.5678		4.4248	3.7858	1.0090	1.0115
H7	2.0516	3.3496	2.5898	3.7053	1.0090	4.4248		1.7610	5.3353	4.4858
H8	2.0339	2.4596	3.1719	2.2657	1.0115	3.7858	1.7610		4.4858	4.2404
H9	3.3496	2.0516	3.7053	2.5898	4.4248	1.0090	5.3353	4.4858		1.7610
H10	2.4596	2.0339	2.2657	3.1719	3.7858	1.0115	4.4858	4.2404	1.7610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.888	C1	C2	N6	111.579
C1	N5	H7	120.330	C1	N5	H8	118.380
C2	C1	O3	121.888	C2	C1	N5	111.579
C2	N6	H9	120.330	C2	N6	H10	118.380
O3	C1	N5	126.532	O4	C2	N6	126.532
H7	N5	H8	121.290	H9	N6	H10	121.290

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3LYPultrafine/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	0.545
2	C	0.545
3	O	-0.523
4	O	-0.523
5	N	-0.740
6	N	-0.740
7	H	0.348
8	H	0.370
9	H	0.348
10	H	0.370

	x	y	z
x	7.535	0.503	0.000
y	0.503	6.275	0.000
z	0.000	0.000	2.566

<r²>	144.686
(<r²>)^1/2	12.029

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)