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	hartrees
Energy at 0K	-338.761802
Energy at 298.15K	-338.768183
HF Energy	-338.761802
Nuclear repulsion energy	233.548793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3714	3575	0.00
2	A_g	3576	3442	0.00
3	A_g	1786	1719	0.00
4	A_g	1591	1532	0.00
5	A_g	1409	1356	0.00
6	A_g	1106	1064	0.00
7	A_g	765	736	0.00
8	A_g	528	508	0.00
9	A_g	399	384	0.00
10	A_u	679	654	1.69
11	A_u	488	469	187.55
12	A_u	366	353	227.99
13	A_u	93	90	7.87
14	B_g	835	804	0.00
15	B_g	660	635	0.00
16	B_g	389	374	0.00
17	B_u	3714	3576	169.45
18	B_u	3576	3442	114.84
19	B_u	1762	1696	667.68
20	B_u	1592	1533	301.93
21	B_u	1310	1261	145.23
22	B_u	1093	1052	4.13
23	B_u	581	560	25.96
24	B_u	275	265	39.26

Atom	x (Å)	y (Å)
C1	-0.054	0.758
C2	0.054	-0.758
O3	-1.142	1.319
O4	1.142	-1.319
N5	1.142	1.367
N6	-1.142	-1.367
H7	1.176	2.370
H8	1.986	0.820
H9	-1.176	-2.370
H10	-1.986	-0.820

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5198	1.2239	2.3967	1.3420	2.3872	2.0281	2.0411	3.3234	2.4943
C2	1.5198		2.3967	1.2239	2.3872	1.3420	3.3234	2.4943	2.0281	2.0411
O3	1.2239	2.3967		3.4891	2.2841	2.6860	2.5454	3.1675	3.6893	2.2992
O4	2.3967	1.2239	3.4891		2.6860	2.2841	3.6893	2.2992	2.5454	3.1675
N5	1.3420	2.3872	2.2841	2.6860		3.5623	1.0037	1.0062	4.3978	3.8164
N6	2.3872	1.3420	2.6860	2.2841	3.5623		4.3978	3.8164	1.0037	1.0062
H7	2.0281	3.3234	2.5454	3.6893	1.0037	4.3978		1.7492	5.2921	4.4918
H8	2.0411	2.4943	3.1675	2.2992	1.0062	3.8164	1.7492		4.4918	4.2971
H9	3.3234	2.0281	3.6893	2.5454	4.3978	1.0037	5.2921	4.4918		1.7492
H10	2.4943	2.0411	2.2992	3.1675	3.8164	1.0062	4.4918	4.2971	1.7492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.363	C1	C2	N6	112.909
C1	N5	H7	118.964	C1	N5	H8	120.052
C2	C1	O3	121.363	C2	C1	N5	112.909
C2	N6	H9	118.964	C2	N6	H10	120.052
O3	C1	N5	125.728	O4	C2	N6	125.728
H7	N5	H8	120.984	H9	N6	H10	120.984

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3LYP/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	0.228
2	C	0.228
3	O	-0.360
4	O	-0.360
5	N	-0.241
6	N	-0.241
7	H	0.181
8	H	0.191
9	H	0.181
10	H	0.191

	x	y	z
x	8.441	0.440	0.000
y	0.440	7.316	0.000
z	0.000	0.000	4.121

<r²>	144.861
(<r²>)^1/2	12.036

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)