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	hartrees
Energy at 0K	-338.389878
Energy at 298.15K	-338.396066
HF Energy	-338.389878
Nuclear repulsion energy	232.294783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3633	3589	0.00
2	A_g	3484	3442	0.00
3	A_g	1735	1714	0.00
4	A_g	1521	1503	0.00
5	A_g	1357	1340	0.00
6	A_g	1063	1050	0.00
7	A_g	741	732	0.00
8	A_g	508	502	0.00
9	A_g	379	375	0.00
10	A_u	670	662	0.03
11	A_u	465	460	148.95
12	A_u	339	335	228.59
13	A_u	94	93	5.69
14	B_g	800	790	0.00
15	B_g	655	647	0.00
16	B_g	359	354	0.00
17	B_u	3634	3590	154.84
18	B_u	3484	3442	91.30
19	B_u	1714	1694	570.38
20	B_u	1526	1508	302.55
21	B_u	1272	1257	94.23
22	B_u	1054	1041	8.77
23	B_u	554	547	19.93
24	B_u	261	258	40.02

Atom	x (Å)	y (Å)
C1	-0.056	0.761
C2	0.056	-0.761
O3	-1.150	1.332
O4	1.150	-1.332
N5	1.150	1.367
N6	-1.150	-1.367
H7	1.192	2.377
H8	1.997	0.809
H9	-1.192	-2.377
H10	-1.997	-0.809

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5256	1.2349	2.4156	1.3498	2.3927	2.0415	2.0532	3.3369	2.4966
C2	1.5256		2.4156	1.2349	2.3927	1.3498	3.3369	2.4966	2.0415	2.0532
O3	1.2349	2.4156		3.5204	2.3009	2.6992	2.5645	3.1906	3.7093	2.3026
O4	2.4156	1.2349	3.5204		2.6992	2.3009	3.7093	2.3026	2.5645	3.1906
N5	1.3498	2.3927	2.3009	2.6992		3.5730	1.0108	1.0140	4.4160	3.8263
N6	2.3927	1.3498	2.6992	2.3009	3.5730		4.4160	3.8263	1.0108	1.0140
H7	2.0415	3.3369	2.5645	3.7093	1.0108	4.4160		1.7625	5.3178	4.5076
H8	2.0532	2.4966	3.1906	2.3026	1.0140	3.8263	1.7625		4.5076	4.3093
H9	3.3369	2.0415	3.7093	2.5645	4.4160	1.0108	5.3178	4.5076		1.7625
H10	2.4966	2.0532	2.3026	3.1906	3.8263	1.0140	4.5076	4.3093	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.755	C1	C2	N6	112.499
C1	N5	H7	119.039	C1	N5	H8	119.933
C2	C1	O3	121.755	C2	C1	N5	112.499
C2	N6	H9	119.039	C2	N6	H10	119.933
O3	C1	N5	125.746	O4	C2	N6	125.746
H7	N5	H8	121.027	H9	N6	H10	121.027

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: PBEPBE/Def2TZVPP

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	0.167
2	C	0.167
3	O	-0.327
4	O	-0.327
5	N	-0.222
6	N	-0.222
7	H	0.190
8	H	0.192
9	H	0.190
10	H	0.192

	x	y	z
x	8.846	0.565	0.000
y	0.565	7.791	0.000
z	0.000	0.000	4.210

<r²>	145.828
(<r²>)^1/2	12.076

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)