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	hartrees
Energy at 0K	-338.537410
Energy at 298.15K	-338.543818
Nuclear repulsion energy	233.206515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3733	3600	0.00
2	A_g	3580	3453	0.00
3	A_g	1800	1736	0.00
4	A_g	1585	1529	0.00
5	A_g	1418	1368	0.00
6	A_g	1094	1055	0.00
7	A_g	772	745	0.00
8	A_g	529	510	0.00
9	A_g	391	378	0.00
10	A_u	678	654	1.81
11	A_u	484	467	179.47
12	A_u	377	364	227.05
13	A_u	99	96	8.60
14	B_g	833	803	0.00
15	B_g	662	639	0.00
16	B_g	399	385	0.00
17	B_u	3733	3601	174.05
18	B_u	3581	3454	113.99
19	B_u	1774	1711	699.56
20	B_u	1579	1523	295.28
21	B_u	1313	1266	112.12
22	B_u	1083	1045	8.54
23	B_u	570	550	26.04
24	B_u	268	259	41.04

Atom	x (Å)	y (Å)
C1	-0.059	0.769
C2	0.059	-0.769
O3	-1.147	1.331
O4	1.147	-1.331
N5	1.147	1.365
N6	-1.147	-1.365
H7	1.216	2.371
H8	1.971	0.779
H9	-1.216	-2.371
H10	-1.971	-0.779

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5428	1.2245	2.4217	1.3447	2.3958	2.0474	2.0295	3.3468	2.4601
C2	1.5428		2.4217	1.2245	2.3958	1.3447	3.3468	2.4601	2.0474	2.0295
O3	1.2245	2.4217		3.5140	2.2934	2.6968	2.5814	3.1658	3.7031	2.2654
O4	2.4217	1.2245	3.5140		2.6968	2.2934	3.7031	2.2654	2.5814	3.1658
N5	1.3447	2.3958	2.2934	2.6968		3.5660	1.0081	1.0116	4.4210	3.7836
N6	2.3958	1.3447	2.6968	2.2934	3.5660		4.4210	3.7836	1.0081	1.0116
H7	2.0474	3.3468	2.5814	3.7031	1.0081	4.4210		1.7620	5.3297	4.4809
H8	2.0295	2.4601	3.1658	2.2654	1.0116	3.7836	1.7620		4.4809	4.2380
H9	3.3468	2.0474	3.7031	2.5814	4.4210	1.0081	5.3297	4.4809		1.7620
H10	2.4601	2.0295	2.2654	3.1658	3.7836	1.0116	4.4809	4.2380	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.697	C1	C2	N6	111.955
C1	N5	H7	120.283	C1	N5	H8	118.235
C2	C1	O3	121.697	C2	C1	N5	111.955
C2	N6	H9	120.283	C2	N6	H10	118.235
O3	C1	N5	126.347	O4	C2	N6	126.347
H7	N5	H8	121.482	H9	N6	H10	121.482

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3PW91/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	0.687
2	C	0.687
3	O	-0.608
4	O	-0.608
5	N	-0.023
6	N	-0.023
7	H	-0.043
8	H	-0.013
9	H	-0.043
10	H	-0.013

	x	y	z
x	9.087	0.430	0.000
y	0.430	7.958	0.000
z	0.000	0.000	4.812

<r²>	144.986
(<r²>)^1/2	12.041

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)