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	hartrees
Energy at 0K	-333.968789
Energy at 298.15K	-333.974351
Nuclear repulsion energy	227.299247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3868	3416	0.17
2	A	3633	3208	0.03
3	A	1924	1699	0.05
4	A	1658	1464	9.03
5	A	1383	1221	0.68
6	A	1140	1007	1.22
7	A	792	699	0.10
8	A	622	549	84.78
9	A	549	485	5.44
10	A	459	405	198.69
11	A	339	299	86.45
12	A	299	264	8.36
13	A	124	109	1.56
14	B	3869	3416	52.94
15	B	3636	3211	42.65
16	B	1890	1669	133.20
17	B	1676	1480	131.98
18	B	1298	1146	139.35
19	B	1137	1004	3.45
20	B	742	655	1.40
21	B	639	565	42.33
22	B	546	482	27.42
23	B	377	333	192.40
24	B	164	145	44.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.083	0.787	-0.002
C2	-0.083	-0.787	-0.002
O3	1.196	1.354	-0.089
O4	-1.196	-1.354	-0.089
N5	-1.196	1.362	0.141
N6	1.196	-1.362	0.141
H7	-1.369	2.326	-0.206
H8	-1.944	0.659	-0.054
H9	1.369	-2.326	-0.206
H10	1.944	-0.659	-0.054

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5820	1.2526	2.4954	1.4098	2.4243	2.1259	2.0311	3.3742	2.3567
C2	1.5820		2.4954	1.2526	2.4243	1.4098	3.3742	2.3567	2.1259	2.0311
O3	1.2526	2.4954		3.6138	2.4032	2.7264	2.7453	3.2159	3.6865	2.1477
O4	2.4954	1.2526	3.6138		2.7264	2.4032	3.6865	2.1477	2.7453	3.2159
N5	1.4098	2.4243	2.4032	2.7264		3.6256	1.0390	1.0449	4.5060	3.7390
N6	2.4243	1.4098	2.7264	2.4032	3.6256		4.5060	3.7390	1.0390	1.0449
H7	2.1259	3.3742	2.7453	3.6865	1.0390	4.5060		1.7702	5.3981	4.4615
H8	2.0311	2.3567	3.2159	2.1477	1.0449	3.7390	1.7702		4.4615	4.1043
H9	3.3742	2.1259	3.6865	2.7453	4.5060	1.0390	5.3981	4.4615		1.7702
H10	2.3567	2.0311	2.1477	3.2159	3.7390	1.0449	4.4615	4.1043	1.7702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.948	C1	C2	N6	108.120
C1	N5	H7	119.722	C1	N5	H8	110.800
C2	C1	O3	122.948	C2	C1	N5	108.120
C2	N6	H9	119.722	C2	N6	H10	110.800
O3	C1	N5	128.916	O4	C2	N6	128.916
H7	N5	H8	116.301	H9	N6	H10	116.301

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B1B95/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	0.190
2	C	0.190
3	O	-0.229
4	O	-0.229
5	N	-0.385
6	N	-0.385
7	H	0.208
8	H	0.217
9	H	0.208
10	H	0.217

	x	y	z	Total
	0.000	0.000	-1.534	1.534
CHELPG
AIM
ESP

	x	y	z
x	5.339	-0.234	0.000
y	-0.234	4.261	0.000
z	0.000	0.000	0.882

<r²>	147.933
(<r²>)^1/2	12.163

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)