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	hartrees
Energy at 0K	-338.597696
Energy at 298.15K	-338.604199
HF Energy	-338.597696
Nuclear repulsion energy	234.038354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3764	3600	0.00
2	A_g	3621	3463	0.00
3	A_g	1856	1775	0.00
4	A_g	1623	1552	0.00
5	A_g	1436	1373	0.00
6	A_g	1127	1078	0.00
7	A_g	781	747	0.00
8	A_g	542	518	0.00
9	A_g	420	402	0.00
10	A_u	688	658	0.51
11	A_u	499	477	254.78
12	A_u	367	351	243.31
13	A_u	94	90	4.97
14	B_g	842	806	0.00
15	B_g	670	641	0.00
16	B_g	393	376	0.00
17	B_u	3765	3601	176.95
18	B_u	3621	3464	127.75
19	B_u	1829	1749	684.00
20	B_u	1615	1545	352.75
21	B_u	1332	1274	139.43
22	B_u	1118	1069	5.69
23	B_u	590	564	25.28
24	B_u	301	288	38.66

Atom	x (Å)	y (Å)
C1	-0.056	0.756
C2	0.056	-0.756
O3	-1.141	1.311
O4	1.141	-1.311
N5	1.141	1.360
N6	-1.141	-1.360
H7	1.178	2.363
H8	1.983	0.807
H9	-1.178	-2.363
H10	-1.983	-0.807

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5165	1.2190	2.3885	1.3400	2.3781	2.0258	2.0391	3.3153	2.4819
C2	1.5165		2.3885	1.2190	2.3781	1.3400	3.3153	2.4819	2.0258	2.0391
O3	1.2190	2.3885		3.4760	2.2823	2.6708	2.5462	3.1642	3.6746	2.2797
O4	2.3885	1.2190	3.4760		2.6708	2.2823	3.6746	2.2797	2.5462	3.1642
N5	1.3400	2.3781	2.2823	2.6708		3.5499	1.0043	1.0070	4.3861	3.8019
N6	2.3781	1.3400	2.6708	2.2823	3.5499		4.3861	3.8019	1.0043	1.0070
H7	2.0258	3.3153	2.5462	3.6746	1.0043	4.3861		1.7520	5.2811	4.4770
H8	2.0391	2.4819	3.1642	2.2797	1.0070	3.8019	1.7520		4.4770	4.2820
H9	3.3153	2.0258	3.6746	2.5462	4.3861	1.0043	5.2811	4.4770		1.7520
H10	2.4819	2.0391	2.2797	3.1642	3.8019	1.0070	4.4770	4.2820	1.7520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.275	C1	C2	N6	112.571
C1	N5	H7	118.871	C1	N5	H8	119.968
C2	C1	O3	121.275	C2	C1	N5	112.571
C2	N6	H9	118.871	C2	N6	H10	119.968
O3	C1	N5	126.154	O4	C2	N6	126.154
H7	N5	H8	121.161	H9	N6	H10	121.161

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: wB97X-D/6-311G**

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	0.319
2	C	0.319
3	O	-0.376
4	O	-0.376
5	N	-0.458
6	N	-0.458
7	H	0.250
8	H	0.266
9	H	0.250
10	H	0.266

	x	y	z
x	7.610	0.456	0.000
y	0.456	6.280	0.000
z	0.000	0.000	3.111

<r²>	143.781
(<r²>)^1/2	11.991

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)