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	hartrees
Energy at 0K	-338.601301
Energy at 298.15K	-338.607548
Nuclear repulsion energy	232.839366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3721	3573	0.00
2	A_g	3586	3443	0.00
3	A_g	1827	1755	0.00
4	A_g	1612	1548	0.00
5	A_g	1424	1368	0.00
6	A_g	1111	1067	0.00
7	A_g	770	740	0.00
8	A_g	532	511	0.00
9	A_g	399	383	0.00
10	A_u	688	661	0.70
11	A_u	480	461	200.01
12	A_u	327	314	356.37
13	A_u	94	90	0.71
14	B_g	816	784	0.00
15	B_g	671	644	0.00
16	B_g	332	319	0.00
17	B_u	3721	3573	150.48
18	B_u	3586	3443	116.69
19	B_u	1799	1727	566.50
20	B_u	1613	1549	332.56
21	B_u	1324	1271	130.13
22	B_u	1103	1059	9.07
23	B_u	574	551	22.95
24	B_u	278	267	39.20

Atom	x (Å)	y (Å)
C1	0.000	0.773
C2	0.000	-0.773
O3	1.041	1.421
O4	-1.041	-1.421
N5	-1.254	1.269
N6	1.254	-1.269
H7	-1.408	2.266
H8	-2.028	0.618
H9	1.408	-2.266
H10	2.028	-0.618

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5469	1.2258	2.4287	1.3480	2.3964	2.0516	2.0337	3.3496	2.4592
C2	1.5469		2.4287	1.2258	2.3964	1.3480	3.3496	2.4592	2.0516	2.0337
O3	1.2258	2.4287		3.5226	2.2996	2.6981	2.5902	3.1720	3.7050	2.2651
O4	2.4287	1.2258	3.5226		2.6981	2.2996	3.7050	2.2651	2.5902	3.1720
N5	1.3480	2.3964	2.2996	2.6981		3.5675	1.0089	1.0114	4.4247	3.7852
N6	2.3964	1.3480	2.6981	2.2996	3.5675		4.4247	3.7852	1.0089	1.0114
H7	2.0516	3.3496	2.5902	3.7050	1.0089	4.4247		1.7609	5.3352	4.4854
H8	2.0337	2.4592	3.1720	2.2651	1.0114	3.7852	1.7609		4.4854	4.2397
H9	3.3496	2.0516	3.7050	2.5902	4.4247	1.0089	5.3352	4.4854		1.7609
H10	2.4592	2.0337	2.2651	3.1720	3.7852	1.0114	4.4854	4.2397	1.7609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.879	C1	C2	N6	111.564
C1	N5	H7	120.339	C1	N5	H8	118.376
C2	C1	O3	121.879	C2	C1	N5	111.564
C2	N6	H9	120.339	C2	N6	H10	118.376
O3	C1	N5	126.557	O4	C2	N6	126.557
H7	N5	H8	121.285	H9	N6	H10	121.285

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3LYP/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	CHELPG	ESP
1	C	0.545	-0.851	0.548
2	C	0.545	0.372	0.573
3	O	-0.523	0.419	-0.500
4	O	-0.523	-0.851	-0.508
5	N	-0.740	0.419	-0.860
6	N	-0.740	0.372	-0.871
7	H	0.348	0.576	0.426
8	H	0.370	-0.517	0.382
9	H	0.348	0.576	0.428
10	H	0.370	-0.517	0.383

	x	y	z
x	7.606	-0.398	0.000
y	-0.398	6.203	0.000
z	0.000	0.000	2.566

<r²>	144.682
(<r²>)^1/2	12.028

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)