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	hartrees
Energy at 0K	-338.620104
Energy at 298.15K	-338.626548
Nuclear repulsion energy	234.359519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3765	3602	0.00
2	A_g	3618	3461	0.00
3	A_g	1846	1766	0.00
4	A_g	1609	1540	0.00
5	A_g	1431	1369	0.00
6	A_g	1116	1068	0.00
7	A_g	781	747	0.00
8	A_g	539	515	0.00
9	A_g	402	385	0.00
10	A_u	690	660	0.95
11	A_u	497	475	230.40
12	A_u	364	348	254.16
13	A_u	97	93	4.78
14	B_g	844	808	0.00
15	B_g	673	643	0.00
16	B_g	386	370	0.00
17	B_u	3765	3602	179.71
18	B_u	3618	3461	125.19
19	B_u	1819	1740	666.12
20	B_u	1602	1533	346.28
21	B_u	1331	1273	122.34
22	B_u	1108	1060	8.62
23	B_u	581	556	24.65
24	B_u	279	267	39.25

Atom	x (Å)	y (Å)
C1	-0.061	0.769
C2	0.061	-0.769
O3	-1.142	1.323
O4	1.142	-1.323
N5	1.142	1.357
N6	-1.142	-1.357
H7	1.217	2.358
H8	1.958	0.766
H9	-1.217	-2.358
H10	-1.958	-0.766

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5420	1.2152	2.4132	1.3394	2.3847	2.0394	2.0191	3.3334	2.4403
C2	1.5420		2.4132	1.2152	2.3847	1.3394	3.3334	2.4403	2.0394	2.0191
O3	1.2152	2.4132		3.4960	2.2847	2.6802	2.5759	3.1499	3.6821	2.2432
O4	2.4132	1.2152	3.4960		2.6802	2.2847	3.6821	2.2432	2.5759	3.1499
N5	1.3394	2.3847	2.2847	2.6802		3.5474	1.0040	1.0072	4.4007	3.7577
N6	2.3847	1.3394	2.6802	2.2847	3.5474		4.4007	3.7577	1.0040	1.0072
H7	2.0394	3.3334	2.5759	3.6821	1.0040	4.4007		1.7560	5.3070	4.4544
H8	2.0191	2.4403	3.1499	2.2432	1.0072	3.7577	1.7560		4.4544	4.2054
H9	3.3334	2.0394	3.6821	2.5759	4.4007	1.0040	5.3070	4.4544		1.7560
H10	2.4403	2.0191	2.2432	3.1499	3.7577	1.0072	4.4544	4.2054	1.7560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.696	C1	C2	N6	111.519
C1	N5	H7	120.306	C1	N5	H8	118.040
C2	C1	O3	121.696	C2	C1	N5	111.519
C2	N6	H9	120.306	C2	N6	H10	118.040
O3	C1	N5	126.785	O4	C2	N6	126.785
H7	N5	H8	121.653	H9	N6	H10	121.653

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: mPW1PW91/6-311G**

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	0.339
2	C	0.339
3	O	-0.389
4	O	-0.389
5	N	-0.457
6	N	-0.457
7	H	0.244
8	H	0.262
9	H	0.244
10	H	0.262

	x	y	z
x	7.649	0.498	0.000
y	0.498	6.358	0.000
z	0.000	0.000	3.107

<r²>	143.298
(<r²>)^1/2	11.971

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)