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	hartrees
Energy at 0K	-338.567062
Energy at 298.15K	-338.573802
Nuclear repulsion energy	230.008670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3744	3598	0.00
2	A_g	3583	3444	0.00
3	A_g	1725	1658	0.00
4	A_g	1610	1548	0.00
5	A_g	1430	1375	0.00
6	A_g	1106	1063	0.00
7	A_g	759	730	0.00
8	A_g	535	514	0.00
9	A_g	395	380	0.00
10	A_u	710	683	599.57
11	A_u	657	632	104.69
12	A_u	426	409	23.28
13	A_u	111	107	20.54
14	B_g	821	789	0.00
15	B_g	700	673	0.00
16	B_g	619	595	0.00
17	B_u	3744	3599	148.90
18	B_u	3584	3445	148.13
19	B_u	1687	1622	596.57
20	B_u	1630	1567	312.17
21	B_u	1322	1270	160.63
22	B_u	1100	1057	8.81
23	B_u	568	546	21.19
24	B_u	271	261	44.56

Atom	x (Å)	y (Å)
C1	0.000	0.774
C2	0.000	-0.774
O3	1.075	1.427
O4	-1.075	-1.427
N5	-1.257	1.292
N6	1.257	-1.292
H7	-1.398	2.293
H8	-2.043	0.650
H9	1.398	-2.293
H10	2.043	-0.650

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5483	1.2577	2.4497	1.3597	2.4186	2.0645	2.0472	3.3709	2.4908
C2	1.5483		2.4497	1.2577	2.4186	1.3597	3.3709	2.4908	2.0645	2.0472
O3	1.2577	2.4497		3.5732	2.3362	2.7250	2.6204	3.2137	3.7341	2.2918
O4	2.4497	1.2577	3.5732		2.7250	2.3362	3.7341	2.2918	2.6204	3.2137
N5	1.3597	2.4186	2.3362	2.7250		3.6055	1.0111	1.0148	4.4614	3.8297
N6	2.4186	1.3597	2.7250	2.3362	3.6055		4.4614	3.8297	1.0111	1.0148
H7	2.0645	3.3709	2.6204	3.7341	1.0111	4.4614		1.7652	5.3715	4.5285
H8	2.0472	2.4908	3.2137	2.2918	1.0148	3.8297	1.7652		4.5285	4.2887
H9	3.3709	2.0645	3.7341	2.6204	4.4614	1.0111	5.3715	4.5285		1.7652
H10	2.4908	2.0472	2.2918	3.2137	3.8297	1.0148	4.5285	4.2887	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.270	C1	C2	N6	112.380
C1	N5	H7	120.386	C1	N5	H8	118.391
C2	C1	O3	121.270	C2	C1	N5	112.380
C2	N6	H9	120.386	C2	N6	H10	118.391
O3	C1	N5	126.350	O4	C2	N6	126.350
H7	N5	H8	121.223	H9	N6	H10	121.223

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3LYP/LANL2DZ

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	0.185
2	C	0.185
3	O	-0.298
4	O	-0.298
5	N	-0.594
6	N	-0.594
7	H	0.341
8	H	0.366
9	H	0.341
10	H	0.366

	x	y	z
x	6.393	-0.659	-0.001
y	-0.659	7.777	-0.002
z	-0.001	-0.002	2.714

<r²>	148.293
(<r²>)^1/2	12.178

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)