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	hartrees
Energy at 0K	-65.412819
Energy at 298.15K	-65.419494
Nuclear repulsion energy	123.992305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3712	3617	0.00
2	A_g	3549	3458	0.00
3	A_g	1699	1655	0.00
4	A_g	1602	1561	0.00
5	A_g	1419	1383	0.00
6	A_g	1101	1073	0.00
7	A_g	753	733	0.00
8	A_g	526	513	0.00
9	A_g	387	377	0.00
10	A_u	681	663	513.73
11	A_u	645	629	161.20
12	A_u	409	398	17.90
13	A_u	98	96	19.62
14	B_g	791	771	0.00
15	B_g	675	657	0.00
16	B_g	604	589	0.00
17	B_u	3713	3618	105.70
18	B_u	3548	3458	110.66
19	B_u	1650	1608	628.37
20	B_u	1626	1585	256.34
21	B_u	1305	1272	173.32
22	B_u	1092	1064	3.30
23	B_u	559	545	24.31
24	B_u	262	256	41.84

Atom	x (Å)	y (Å)
C1	0.000	0.777
C2	0.000	-0.777
O3	1.083	1.433
O4	-1.083	-1.433
N5	-1.260	1.305
N6	1.260	-1.305
H7	-1.389	2.307
H8	-2.052	0.673
H9	1.389	-2.307
H10	2.052	-0.673

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5549	1.2660	2.4618	1.3665	2.4343	2.0662	2.0546	3.3830	2.5126
C2	1.5549		2.4618	1.2660	2.4343	1.3665	3.3830	2.5126	2.0662	2.0546
O3	1.2660	2.4618		3.5929	2.3468	2.7443	2.6215	3.2258	3.7533	2.3183
O4	2.4618	1.2660	3.5929		2.7443	2.3468	3.7533	2.3183	2.6215	3.2258
N5	1.3665	2.4343	2.3468	2.7443		3.6289	1.0104	1.0132	4.4798	3.8579
N6	2.4343	1.3665	2.7443	2.3468	3.6289		4.4798	3.8579	1.0104	1.0132
H7	2.0662	3.3830	2.6215	3.7533	1.0104	4.4798		1.7643	5.3861	4.5517
H8	2.0546	2.5126	3.2258	2.3183	1.0132	3.8579	1.7643		4.5517	4.3187
H9	3.3830	2.0662	3.7533	2.6215	4.4798	1.0104	5.3861	4.5517		1.7643
H10	2.5126	2.0546	2.3183	3.2258	3.8579	1.0132	4.5517	4.3187	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.205	C1	C2	N6	112.719
C1	N5	H7	120.004	C1	N5	H8	118.649
C2	C1	O3	121.205	C2	C1	N5	112.719
C2	N6	H9	120.004	C2	N6	H10	118.649
O3	C1	N5	126.076	O4	C2	N6	126.076
H7	N5	H8	121.347	H9	N6	H10	121.347

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3LYP/CEP-121G

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	-0.036
2	C	-0.036
3	O	-0.194
4	O	-0.194
5	N	-0.466
6	N	-0.466
7	H	0.335
8	H	0.360
9	H	0.335
10	H	0.360

	x	y	z
x	6.805	-0.753	0.000
y	-0.753	7.996	0.002
z	0.000	0.002	3.242

<r²>	121.368
(<r²>)^1/2	11.017

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)