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	hartrees
Energy at 0K	-338.543622
Energy at 298.15K	-338.549758
HF Energy	-338.543622
Nuclear repulsion energy	232.457761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3665	3614	0.00
2	A_g	3518	3469	0.00
3	A_g	1741	1717	0.00
4	A_g	1542	1521	0.00
5	A_g	1361	1342	0.00
6	A_g	1071	1056	0.00
7	A_g	739	728	0.00
8	A_g	510	503	0.00
9	A_g	382	377	0.00
10	A_u	670	661	0.57
11	A_u	456	450	117.16
12	A_u	318	314	262.27
13	A_u	85	84	4.23
14	B_g	804	793	0.00
15	B_g	652	643	0.00
16	B_g	328	323	0.00
17	B_u	3665	3614	136.54
18	B_u	3518	3468	81.49
19	B_u	1717	1693	561.54
20	B_u	1551	1529	284.22
21	B_u	1275	1257	124.04
22	B_u	1061	1046	4.68
23	B_u	561	553	21.39
24	B_u	262	258	38.34

Atom	x (Å)	y (Å)
C1	-0.063	0.775
C2	0.063	-0.775
O3	-1.148	1.344
O4	1.148	-1.344
N5	1.148	1.369
N6	-1.148	-1.369
H7	1.221	2.373
H8	1.970	0.782
H9	-1.221	-2.373
H10	-1.970	-0.782

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5547	1.2259	2.4404	1.3492	2.4034	2.0500	2.0323	3.3544	2.4615
C2	1.5547		2.4404	1.2259	2.4034	1.3492	3.3544	2.4615	2.0500	2.0323
O3	1.2259	2.4404		3.5354	2.2971	2.7131	2.5833	3.1684	3.7178	2.2786
O4	2.4404	1.2259	3.5354		2.7131	2.2971	3.7178	2.2786	2.5833	3.1684
N5	1.3492	2.4034	2.2971	2.7131		3.5744	1.0066	1.0097	4.4295	3.7880
N6	2.4034	1.3492	2.7131	2.2971	3.5744		4.4295	3.7880	1.0066	1.0097
H7	2.0500	3.3544	2.5833	3.7178	1.0066	4.4295		1.7590	5.3378	4.4870
H8	2.0323	2.4615	3.1684	2.2786	1.0097	3.7880	1.7590		4.4870	4.2381
H9	3.3544	2.0500	3.7178	2.5833	4.4295	1.0066	5.3378	4.4870		1.7590
H10	2.4615	2.0323	2.2786	3.1684	3.7880	1.0097	4.4870	4.2381	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.861	C1	C2	N6	112.492
C1	N5	H7	119.010	C1	N5	H8	119.980
C2	C1	O3	121.861	C2	C1	N5	112.492
C2	N6	H9	119.010	C2	N6	H10	119.980
O3	C1	N5	125.647	O4	C2	N6	125.647
H7	N5	H8	121.010	H9	N6	H10	121.010

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B97D3/cc-pVTZ

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	0.167
2	C	0.167
3	O	-0.327
4	O	-0.327
5	N	-0.162
6	N	-0.162
7	H	0.153
8	H	0.169
9	H	0.153
10	H	0.169

	x	y	z
x	8.467	0.597	0.000
y	0.597	7.513	0.000
z	0.000	0.000	3.838

<r²>	145.581
(<r²>)^1/2	12.066

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)