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	hartrees
Energy at 0K	-338.485607
Energy at 298.15K	-338.491901
Nuclear repulsion energy	233.942795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3750	3560	0.00
2	A_g	3607	3424	0.00
3	A_g	1862	1768	0.00
4	A_g	1613	1532	0.00
5	A_g	1439	1366	0.00
6	A_g	1110	1054	0.00
7	A_g	780	740	0.00
8	A_g	534	507	0.00
9	A_g	394	374	0.00
10	A_u	692	656	0.84
11	A_u	485	460	228.37
12	A_u	343	325	337.17
13	A_u	98	93	1.64
14	B_g	818	777	0.00
15	B_g	675	641	0.00
16	B_g	352	334	0.00
17	B_u	3750	3560	171.00
18	B_u	3607	3424	130.89
19	B_u	1835	1742	594.64
20	B_u	1607	1525	347.56
21	B_u	1336	1268	112.41
22	B_u	1102	1047	14.69
23	B_u	568	539	22.37
24	B_u	274	260	39.95

Atom	x (Å)	y (Å)
C1	-0.061	0.767
C2	0.061	-0.767
O3	-1.147	1.327
O4	1.147	-1.327
N5	1.147	1.351
N6	-1.147	-1.351
H7	1.231	2.354
H8	1.962	0.754
H9	-1.231	-2.354
H10	-1.962	-0.754

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5393	1.2216	2.4176	1.3413	2.3802	2.0464	2.0226	3.3335	2.4345
C2	1.5393		2.4176	1.2216	2.3802	1.3413	3.3335	2.4345	2.0464	2.0226
O3	1.2216	2.4176		3.5078	2.2935	2.6780	2.5902	3.1606	3.6822	2.2352
O4	2.4176	1.2216	3.5078		2.6780	2.2935	3.6822	2.2352	2.5902	3.1606
N5	1.3413	2.3802	2.2935	2.6780		3.5439	1.0067	1.0100	4.4024	3.7540
N6	2.3802	1.3413	2.6780	2.2935	3.5439		4.4024	3.7540	1.0067	1.0100
H7	2.0464	3.3335	2.5902	3.6822	1.0067	4.4024		1.7586	5.3132	4.4559
H8	2.0226	2.4345	3.1606	2.2352	1.0100	3.7540	1.7586		4.4559	4.2031
H9	3.3335	2.0464	3.6822	2.5902	4.4024	1.0067	5.3132	4.4559		1.7586
H10	2.4345	2.0226	2.2352	3.1606	3.7540	1.0100	4.4559	4.2031	1.7586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.824	C1	C2	N6	111.249
C1	N5	H7	120.611	C1	N5	H8	117.994
C2	C1	O3	121.824	C2	C1	N5	111.249
C2	N6	H9	120.611	C2	N6	H10	117.994
O3	C1	N5	126.927	O4	C2	N6	126.927
H7	N5	H8	121.395	H9	N6	H10	121.395

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B1B95/6-31G*

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	0.541
2	C	0.541
3	O	-0.522
4	O	-0.522
5	N	-0.766
6	N	-0.766
7	H	0.363
8	H	0.384
9	H	0.363
10	H	0.384

	x	y	z
x	7.479	0.481	0.000
y	0.481	6.158	0.000
z	0.000	0.000	2.577

<r²>	143.219
(<r²>)^1/2	11.967

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)