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	hartrees
Energy at 0K	-65.517806
Energy at 298.15K	-65.523822
Nuclear repulsion energy	125.178094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3707	3594	0.00
2	A_g	3565	3456	0.00
3	A_g	1771	1717	0.00
4	A_g	1596	1547	0.00
5	A_g	1396	1353	0.00
6	A_g	1089	1056	0.00
7	A_g	752	729	0.00
8	A_g	519	503	0.00
9	A_g	390	378	0.00
10	A_u	666	646	0.11
11	A_u	450	436	110.86
12	A_u	291	282	422.41
13	A_u	73	71	0.00
14	B_g	800	775	0.00
15	B_g	650	630	0.00
16	B_g	276	268	0.00
17	B_u	3708	3594	127.26
18	B_u	3565	3456	104.91
19	B_u	1738	1685	681.96
20	B_u	1599	1550	297.50
21	B_u	1286	1247	161.19
22	B_u	1077	1045	4.33
23	B_u	563	546	24.08
24	B_u	269	261	37.91

Atom	x (Å)	y (Å)
C1	0.000	0.782
C2	0.000	-0.782
O3	1.047	1.433
O4	-1.047	-1.433
N5	-1.262	1.285
N6	1.262	-1.285
H7	-1.406	2.287
H8	-2.043	0.640
H9	1.406	-2.287
H10	2.043	-0.640

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5641	1.2325	2.4497	1.3582	2.4219	2.0595	2.0482	3.3756	2.4896
C2	1.5641		2.4497	1.2325	2.4219	1.3582	3.3756	2.4896	2.0595	2.0482
O3	1.2325	2.4497		3.5488	2.3130	2.7265	2.5975	3.1900	3.7367	2.3002
O4	2.4497	1.2325	3.5488		2.7265	2.3130	3.7367	2.3002	2.5975	3.1900
N5	1.3582	2.4219	2.3130	2.7265		3.6020	1.0118	1.0134	4.4583	3.8250
N6	2.4219	1.3582	2.7265	2.3130	3.6020		4.4583	3.8250	1.0118	1.0134
H7	2.0595	3.3756	2.5975	3.7367	1.0118	4.4583		1.7652	5.3690	4.5241
H8	2.0482	2.4896	3.1900	2.3002	1.0134	3.8250	1.7652		4.5241	4.2826
H9	3.3756	2.0595	3.7367	2.5975	4.4583	1.0118	5.3690	4.5241		1.7652
H10	2.4896	2.0482	2.3002	3.1900	3.8250	1.0134	4.5241	4.2826	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.866	C1	C2	N6	111.748
C1	N5	H7	119.974	C1	N5	H8	118.729
C2	C1	O3	121.866	C2	C1	N5	111.748
C2	N6	H9	119.974	C2	N6	H10	118.729
O3	C1	N5	126.386	O4	C2	N6	126.386
H7	N5	H8	121.297	H9	N6	H10	121.297

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	0.116
2	C	0.116
3	O	-0.323
4	O	-0.323
5	N	-0.529
6	N	-0.529
7	H	0.356
8	H	0.380
9	H	0.356
10	H	0.380

	x	y	z
x	7.146	0.732	-0.001
y	0.732	7.732	-0.007
z	-0.001	-0.007	3.529

<r²>	119.175
(<r²>)^1/2	10.917

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)