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	hartrees
Energy at 0K	-338.546131
Energy at 298.15K	-338.552561
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3759	3600	0.00
2	A_g	3603	3451	0.00
3	A_g	1824	1747	0.00
4	A_g	1592	1525	0.00
5	A_g	1429	1369	0.00
6	A_g	1094	1048	0.00
7	A_g	780	747	0.00
8	A_g	531	509	0.00
9	A_g	387	371	0.00
10	A_u	682	653	2.49
11	A_u	488	468	189.92
12	A_u	383	366	219.23
13	A_u	102	98	9.03
14	B_g	838	803	0.00
15	B_g	666	638	0.00
16	B_g	406	389	0.00
17	B_u	3759	3601	185.75
18	B_u	3604	3452	125.70
19	B_u	1800	1724	734.92
20	B_u	1579	1513	302.58
21	B_u	1322	1266	107.30
22	B_u	1084	1038	10.56
23	B_u	567	543	27.20
24	B_u	265	254	40.91

Atom	x (Å)	y (Å)
C1	-0.059	0.766
C2	0.059	-0.766
O3	-1.144	1.324
O4	1.144	-1.324
N5	1.144	1.358
N6	-1.144	-1.358
H7	1.217	2.361
H8	1.963	0.768
H9	-1.217	-2.361
H10	-1.963	-0.768

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5374	1.2204	2.4120	1.3402	2.3858	2.0422	2.0213	3.3353	2.4457
C2	1.5374		2.4120	1.2204	2.3858	1.3402	3.3353	2.4457	2.0422	2.0213
O3	1.2204	2.4120		3.5001	2.2881	2.6827	2.5788	3.1560	3.6862	2.2473
O4	2.4120	1.2204	3.5001		2.6827	2.2881	3.6862	2.2473	2.5788	3.1560
N5	1.3402	2.3858	2.2881	2.6827		3.5515	1.0055	1.0091	4.4055	3.7647
N6	2.3858	1.3402	2.6827	2.2881	3.5515		4.4055	3.7647	1.0055	1.0091
H7	2.0422	3.3353	2.5788	3.6862	1.0055	4.4055		1.7584	5.3128	4.4616
H8	2.0213	2.4457	3.1560	2.2473	1.0091	3.7647	1.7584		4.4616	4.2154
H9	3.3353	2.0422	3.6862	2.5788	4.4055	1.0055	5.3128	4.4616		1.7584
H10	2.4457	2.0213	2.2473	3.1560	3.7647	1.0091	4.4616	4.2154	1.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.580	C1	C2	N6	111.830
C1	N5	H7	120.388	C1	N5	H8	118.029
C2	C1	O3	121.580	C2	C1	N5	111.830
C2	N6	H9	120.388	C2	N6	H10	118.029
O3	C1	N5	126.590	O4	C2	N6	126.590
H7	N5	H8	121.583	H9	N6	H10	121.583

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B1B95/aug-cc-pVDZ

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	0.679
2	C	0.679
3	O	-0.601
4	O	-0.601
5	N	0.025
6	N	0.025
7	H	-0.067
8	H	-0.036
9	H	-0.067
10	H	-0.036

	x	y	z
x	8.989	0.409	0.000
y	0.409	7.835	0.000
z	0.000	0.000	4.764

<r²>	143.991
(<r²>)^1/2	12.000

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)