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	hartrees
Energy at 0K	-338.412371
Energy at 298.15K	-338.419266
Nuclear repulsion energy	232.558291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3784	3582	0.00
2	A_g	3628	3434	0.00
3	A_g	1792	1696	0.00
4	A_g	1648	1560	0.00
5	A_g	1484	1405	0.00
6	A_g	1138	1077	0.00
7	A_g	792	750	0.00
8	A_g	552	522	0.00
9	A_g	409	387	0.00
10	A_u	746	706	764.98
11	A_u	679	643	26.04
12	A_u	430	407	20.58
13	A_u	117	110	18.88
14	B_g	830	785	0.00
15	B_g	717	679	0.00
16	B_g	648	613	0.00
17	B_u	3784	3582	153.41
18	B_u	3628	3434	140.49
19	B_u	1757	1663	538.82
20	B_u	1661	1572	335.09
21	B_u	1375	1302	137.82
22	B_u	1132	1071	12.80
23	B_u	589	557	22.00
24	B_u	279	265	44.03

Atom	x (Å)	y (Å)
C1	-0.049	0.761
C2	0.049	-0.761
O3	-1.156	1.335
O4	1.156	-1.335
N5	1.156	1.354
N6	-1.156	-1.354
H7	1.230	2.356
H8	1.979	0.771
H9	-1.230	-2.356
H10	-1.979	-0.771

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5250	1.2476	2.4179	1.3430	2.3876	2.0447	2.0280	3.3336	2.4645
C2	1.5250		2.4179	1.2476	2.3876	1.3430	3.3336	2.4645	2.0447	2.0280
O3	1.2476	2.4179		3.5328	2.3124	2.6897	2.5956	3.1859	3.6924	2.2614
O4	2.4179	1.2476	3.5328		2.6897	2.3124	3.6924	2.2614	2.5956	3.1859
N5	1.3430	2.3876	2.3124	2.6897		3.5614	1.0047	1.0089	4.4117	3.7878
N6	2.3876	1.3430	2.6897	2.3124	3.5614		4.4117	3.7878	1.0047	1.0089
H7	2.0447	3.3336	2.5956	3.6924	1.0047	4.4117		1.7533	5.3162	4.4811
H8	2.0280	2.4645	3.1859	2.2614	1.0089	3.7878	1.7533		4.4811	4.2482
H9	3.3336	2.0447	3.6924	2.5956	4.4117	1.0047	5.3162	4.4811		1.7533
H10	2.4645	2.0280	2.2614	3.1859	3.7878	1.0089	4.4811	4.2482	1.7533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.075	C1	C2	N6	112.559
C1	N5	H7	120.448	C1	N5	H8	118.454
C2	C1	O3	121.075	C2	C1	N5	112.559
C2	N6	H9	120.448	C2	N6	H10	118.454
O3	C1	N5	126.365	O4	C2	N6	126.365
H7	N5	H8	121.098	H9	N6	H10	121.098

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: mPW1PW91/6-31G

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	0.509
2	C	0.509
3	O	-0.488
4	O	-0.488
5	N	-0.774
6	N	-0.774
7	H	0.366
8	H	0.387
9	H	0.366
10	H	0.387

	x	y	z
x	7.614	0.327	0.000
y	0.327	5.762	0.000
z	0.000	0.000	2.153

<r²>	144.978
(<r²>)^1/2	12.041

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)