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	hartrees
Energy at 0K	-333.925825
Energy at 298.15K	-333.931330
Nuclear repulsion energy	223.185796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3411	3.91
2	A	3595	3326	19.70
3	A	3476	3216	10.15
4	A	3130	2896	130.78
5	A	1790	1656	26.73
6	A	1750	1619	37.29
7	A	1653	1529	43.83
8	A	1516	1402	170.09
9	A	1323	1224	9.15
10	A	1265	1170	120.02
11	A	1089	1008	7.36
12	A	1071	991	0.80
13	A	831	769	88.32
14	A	718	664	7.61
15	A	670	620	0.61
16	A	572	529	1.69
17	A	560	518	52.68
18	A	486	449	22.59
19	A	440	407	232.86
20	A	401	371	81.41
21	A	334	309	70.84
22	A	304	282	55.78
23	A	177	164	28.42
24	A	127	117	6.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.748	-0.195	0.011
C2	0.802	0.296	-0.003
O3	-0.992	-1.454	-0.071
O4	1.226	1.491	-0.060
N5	-1.709	0.866	-0.040
N6	1.516	-0.950	0.157
H7	-2.695	0.651	0.269
H8	-1.344	1.792	0.314
H9	2.433	-1.053	-0.359
H10	0.754	-1.697	-0.047

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.6253	1.2847	2.5969	1.4332	2.3909	2.1392	2.0973	3.3151	2.1248
C2	1.6253		2.5065	1.2697	2.5749	1.4454	3.5252	2.6354	2.1467	1.9940
O3	1.2847	2.5065		3.6868	2.4290	2.5682	2.7294	3.2879	3.4603	1.7631
O4	2.5969	1.2697	3.6868		3.0006	2.4684	4.0232	2.6146	2.8323	3.2231
N5	1.4332	2.5749	2.4290	3.0006		3.7069	1.0554	1.0561	4.5765	3.5553
N6	2.3909	1.4454	2.5682	2.4684	3.7069		4.5069	3.9660	1.0572	1.0863
H7	2.1392	3.5252	2.7294	4.0232	1.0554	4.5069		1.7684	5.4404	4.1850
H8	2.0973	2.6354	3.2879	2.6146	1.0561	3.9660	1.7684		4.7770	4.0879
H9	3.3151	2.1467	3.4603	2.8323	4.5765	1.0572	5.4404	4.7770		1.8248
H10	2.1248	1.9940	1.7631	3.2231	3.5553	1.0863	4.1850	4.0879	1.8248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	127.109	C1	C2	N6	102.110
C1	N5	H7	117.740	C1	N5	H8	113.957
C2	C1	O3	118.467	C2	C1	N5	114.532
C2	N6	H9	117.297	C2	N6	H10	103.004
O3	C1	N5	126.594	O4	C2	N6	130.653
H7	N5	H8	113.761	H9	N6	H10	116.704

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: BLYP/STO-3G

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	0.164
2	C	0.154
3	O	-0.202
4	O	-0.201
5	N	-0.346
6	N	-0.358
7	H	0.202
8	H	0.209
9	H	0.185
10	H	0.193

	x	y	z	Total
	-1.245	0.152	0.108	1.259
CHELPG
AIM
ESP

	x	y	z
x	5.172	-0.615	-0.226
y	-0.615	5.412	0.049
z	-0.226	0.049	0.993

<r²>	153.144
(<r²>)^1/2	12.375

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)