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	hartrees
Energy at 0K	-336.735116
Energy at 298.15K	-336.742052
Nuclear repulsion energy	232.367304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3652	3524	0.00
2	A_g	3499	3376	0.00
3	A_g	1781	1718	0.00
4	A_g	1618	1561	0.00
5	A_g	1394	1345	0.00
6	A_g	1123	1084	0.00
7	A_g	747	721	0.00
8	A_g	549	530	0.00
9	A_g	407	393	0.00
10	A_u	732	706	345.89
11	A_u	682	658	294.14
12	A_u	439	423	61.93
13	A_u	149	144	12.33
14	B_g	870	839	0.00
15	B_g	734	709	0.00
16	B_g	608	586	0.00
17	B_u	3652	3524	138.91
18	B_u	3500	3377	112.68
19	B_u	1756	1694	318.38
20	B_u	1637	1579	432.14
21	B_u	1334	1287	143.16
22	B_u	1121	1082	7.91
23	B_u	584	564	14.82
24	B_u	284	274	47.05

Atom	x (Å)	y (Å)
C1	0.000	0.772
C2	0.000	-0.772
O3	1.058	1.425
O4	-1.058	-1.425
N5	-1.264	1.238
N6	1.264	-1.238
H7	-1.464	2.230
H8	-2.006	0.541
H9	1.464	-2.230
H10	2.006	-0.541

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5444	1.2434	2.4387	1.3473	2.3746	2.0657	2.0189	3.3399	2.3971
C2	1.5444		2.4387	1.2434	2.3746	1.3473	3.3399	2.3971	2.0657	2.0189
O3	1.2434	2.4387		3.5499	2.3301	2.6708	2.6474	3.1889	3.6772	2.1819
O4	2.4387	1.2434	3.5499		2.6708	2.3301	3.6772	2.1819	2.6474	3.1889
N5	1.3473	2.3746	2.3301	2.6708		3.5388	1.0118	1.0177	4.4122	3.7223
N6	2.3746	1.3473	2.6708	2.3301	3.5388		4.4122	3.7223	1.0118	1.0177
H7	2.0657	3.3399	2.6474	3.6772	1.0118	4.4122		1.7739	5.3347	4.4398
H8	2.0189	2.3971	3.1889	2.1819	1.0177	3.7223	1.7739		4.4398	4.1544
H9	3.3399	2.0657	3.6772	2.6474	4.4122	1.0118	5.3347	4.4398		1.7739
H10	2.3971	2.0189	2.1819	3.1889	3.7223	1.0177	4.4398	4.1544	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.666	C1	C2	N6	110.218
C1	N5	H7	121.590	C1	N5	H8	116.535
C2	C1	O3	121.666	C2	C1	N5	110.218
C2	N6	H9	121.590	C2	N6	H10	116.535
O3	C1	N5	128.116	O4	C2	N6	128.116
H7	N5	H8	121.875	H9	N6	H10	121.875

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3LYP/3-21G

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	ESP
1	C	0.609	0.540
2	C	0.609	0.541
3	O	-0.520	-0.490
4	O	-0.520	-0.492
5	N	-0.756	-0.839
6	N	-0.756	-0.835
7	H	0.325	0.421
8	H	0.341	0.368
9	H	0.325	0.420
10	H	0.341	0.365

	x	y	z
x	7.045	-0.378	0.000
y	-0.378	5.481	0.000
z	0.000	0.000	1.688

<r²>	144.377
(<r²>)^1/2	12.016

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)