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	hartrees
Energy at 0K	-338.233883
Energy at 298.15K	-338.239976
Nuclear repulsion energy	231.628681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3635	3575	0.00
2	A_g	3488	3431	0.00
3	A_g	1776	1747	0.00
4	A_g	1546	1521	0.00
5	A_g	1373	1351	0.00
6	A_g	1072	1054	0.00
7	A_g	748	736	0.00
8	A_g	514	506	0.00
9	A_g	381	375	0.00
10	A_u	683	672	0.03
11	A_u	461	454	171.05
12	A_u	312	307	343.26
13	A_u	95	94	0.09
14	B_g	785	772	0.00
15	B_g	670	658	0.00
16	B_g	314	309	0.00
17	B_u	3635	3575	140.34
18	B_u	3488	3430	92.83
19	B_u	1750	1721	476.49
20	B_u	1553	1527	334.02
21	B_u	1286	1265	88.79
22	B_u	1067	1049	14.30
23	B_u	550	541	16.74
24	B_u	267	263	40.36

Atom	x (Å)	y (Å)
C1	-0.063	0.773
C2	0.063	-0.773
O3	-1.159	1.347
O4	1.159	-1.347
N5	1.159	1.357
N6	-1.159	-1.357
H7	1.252	2.369
H8	1.975	0.745
H9	-1.252	-2.369
H10	-1.975	-0.745

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5516	1.2366	2.4472	1.3546	2.3954	2.0679	2.0387	3.3593	2.4411
C2	1.5516		2.4472	1.2366	2.3954	1.3546	3.3593	2.4411	2.0679	2.0387
O3	1.2366	2.4472		3.5536	2.3179	2.7038	2.6186	3.1914	3.7167	2.2452
O4	2.4472	1.2366	3.5536		2.7038	2.3179	3.7167	2.2452	2.6186	3.1914
N5	1.3546	2.3954	2.3179	2.7038		3.5690	1.0161	1.0203	4.4378	3.7735
N6	2.3954	1.3546	2.7038	2.3179	3.5690		4.4378	3.7735	1.0161	1.0203
H7	2.0679	3.3593	2.6186	3.7167	1.0161	4.4378		1.7777	5.3586	4.4843
H8	2.0387	2.4411	3.1914	2.2452	1.0203	3.7735	1.7777		4.4843	4.2218
H9	3.3593	2.0679	3.7167	2.6186	4.4378	1.0161	5.3586	4.4843		1.7777
H10	2.4411	2.0387	2.2452	3.1914	3.7735	1.0203	4.4843	4.2218	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.326	C1	C2	N6	110.838
C1	N5	H7	120.786	C1	N5	H8	117.601
C2	C1	O3	122.326	C2	C1	N5	110.838
C2	N6	H9	120.786	C2	N6	H10	117.601
O3	C1	N5	126.835	O4	C2	N6	126.835
H7	N5	H8	121.613	H9	N6	H10	121.613

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: PBEPBEultrafine/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	0.502
2	C	0.502
3	O	-0.492
4	O	-0.492
5	N	-0.719
6	N	-0.719
7	H	0.346
8	H	0.364
9	H	0.346
10	H	0.364

	x	y	z
x	7.859	0.631	0.000
y	0.631	6.665	0.000
z	0.000	0.000	2.614

<r²>	145.594
(<r²>)^1/2	12.066

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)