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	hartrees
Energy at 0K	-338.752965
Energy at 298.15K	-338.759348
HF Energy	-338.752965
Nuclear repulsion energy	233.448096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3709	3588	0.00
2	A_g	3571	3455	0.00
3	A_g	1777	1719	0.00
4	A_g	1591	1540	0.00
5	A_g	1407	1361	0.00
6	A_g	1103	1068	0.00
7	A_g	763	738	0.00
8	A_g	527	510	0.00
9	A_g	397	384	0.00
10	A_u	673	651	1.21
11	A_u	486	470	177.65
12	A_u	363	351	231.00
13	A_u	94	91	7.88
14	B_g	836	809	0.00
15	B_g	655	634	0.00
16	B_g	385	373	0.00
17	B_u	3709	3589	171.18
18	B_u	3571	3455	112.72
19	B_u	1753	1696	699.61
20	B_u	1593	1541	291.45
21	B_u	1307	1265	150.38
22	B_u	1091	1055	3.45
23	B_u	580	562	27.00
24	B_u	273	265	39.29

Atom	x (Å)	y (Å)
C1	-0.061	0.774
C2	0.061	-0.774
O3	-1.141	1.332
O4	1.141	-1.332
N5	1.141	1.376
N6	-1.141	-1.376
H7	1.200	2.379
H8	1.974	0.811
H9	-1.200	-2.379
H10	-1.974	-0.811

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5527	1.2165	2.4254	1.3444	2.4059	2.0407	2.0352	3.3521	2.4842
C2	1.5527		2.4254	1.2165	2.4059	1.3444	3.3521	2.4842	2.0407	2.0352
O3	1.2165	2.4254		3.5091	2.2834	2.7081	2.5644	3.1589	3.7116	2.2991
O4	2.4254	1.2165	3.5091		2.7081	2.2834	3.7116	2.2991	2.5644	3.1589
N5	1.3444	2.4059	2.2834	2.7081		3.5751	1.0047	1.0062	4.4245	3.8061
N6	2.4059	1.3444	2.7081	2.2834	3.5751		4.4245	3.8061	1.0047	1.0062
H7	2.0407	3.3521	2.5644	3.7116	1.0047	4.4245		1.7488	5.3283	4.4995
H8	2.0352	2.4842	3.1589	2.2991	1.0062	3.8061	1.7488		4.4995	4.2680
H9	3.3521	2.0407	3.7116	2.5644	4.4245	1.0047	5.3283	4.4995		1.7488
H10	2.4842	2.0352	2.2991	3.1589	3.8061	1.0062	4.4995	4.2680	1.7488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.822	C1	C2	N6	112.095
C1	N5	H7	119.918	C1	N5	H8	119.251
C2	C1	O3	121.822	C2	C1	N5	112.095
C2	N6	H9	119.918	C2	N6	H10	119.251
O3	C1	N5	126.082	O4	C2	N6	126.082
H7	N5	H8	120.831	H9	N6	H10	120.831

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	0.624
2	C	0.624
3	O	-0.661
4	O	-0.661
5	N	-0.135
6	N	-0.135
7	H	0.058
8	H	0.114
9	H	0.058
10	H	0.114

	x	y	z
x	9.168	0.448	0.000
y	0.448	8.092	0.000
z	0.000	0.000	4.912

<r²>	145.190
(<r²>)^1/2	12.049

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)