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	hartrees
Energy at 0K	-338.543815
Energy at 298.15K	-338.549984
HF Energy	-338.543815
Nuclear repulsion energy	232.454847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3663	3615	0.00
2	A_g	3519	3473	0.00
3	A_g	1736	1714	0.00
4	A_g	1544	1524	0.00
5	A_g	1361	1343	0.00
6	A_g	1070	1056	0.00
7	A_g	739	729	0.00
8	A_g	510	504	0.00
9	A_g	382	377	0.00
10	A_u	665	656	0.77
11	A_u	458	452	132.38
12	A_u	337	333	252.29
13	A_u	85	84	6.43
14	B_g	804	793	0.00
15	B_g	646	637	0.00
16	B_g	350	345	0.00
17	B_u	3663	3616	142.69
18	B_u	3518	3473	82.57
19	B_u	1714	1692	623.72
20	B_u	1552	1532	278.69
21	B_u	1272	1255	133.06
22	B_u	1058	1044	3.84
23	B_u	564	556	23.26
24	B_u	260	257	38.36

Atom	x (Å)	y (Å)
C1	-0.062	0.775
C2	0.062	-0.775
O3	-1.147	1.342
O4	1.147	-1.342
N5	1.147	1.373
N6	-1.147	-1.373
H7	1.215	2.379
H8	1.974	0.792
H9	-1.215	-2.379
H10	-1.974	-0.792

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5556	1.2242	2.4382	1.3491	2.4073	2.0500	2.0360	3.3583	2.4726
C2	1.5556		2.4382	1.2242	2.4073	1.3491	3.3583	2.4726	2.0500	2.0360
O3	1.2242	2.4382		3.5308	2.2947	2.7153	2.5802	3.1692	3.7211	2.2887
O4	2.4382	1.2242	3.5308		2.7153	2.2947	3.7211	2.2887	2.5802	3.1692
N5	1.3491	2.4073	2.2947	2.7153		3.5791	1.0075	1.0105	4.4340	3.7991
N6	2.4073	1.3491	2.7153	2.2947	3.5791		4.4340	3.7991	1.0075	1.0105
H7	2.0500	3.3583	2.5802	3.7211	1.0075	4.4340		1.7583	5.3424	4.4976
H8	2.0360	2.4726	3.1692	2.2887	1.0105	3.7991	1.7583		4.4976	4.2542
H9	3.3583	2.0500	3.7211	2.5802	4.4340	1.0075	5.3424	4.4976		1.7583
H10	2.4726	2.0360	2.2887	3.1692	3.7991	1.0105	4.4976	4.2542	1.7583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.722	C1	C2	N6	112.725
C1	N5	H7	119.020	C1	N5	H8	120.097
C2	C1	O3	121.722	C2	C1	N5	112.725
C2	N6	H9	119.020	C2	N6	H10	120.097
O3	C1	N5	125.552	O4	C2	N6	125.552
H7	N5	H8	120.884	H9	N6	H10	120.884

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B97D3/6-311+G(3df,2p)

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	1.051
2	C	1.051
3	O	-0.804
4	O	-0.804
5	N	-0.646
6	N	-0.646
7	H	0.171
8	H	0.228
9	H	0.171
10	H	0.228

	x	y	z
x	9.332	0.514	0.000
y	0.514	8.365	0.000
z	0.000	0.000	4.919

<r²>	146.085
(<r²>)^1/2	12.087

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)