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	hartrees
Energy at 0K	-336.788111
Energy at 298.15K	-336.794728
Nuclear repulsion energy	235.423870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3961	3607	0.00
2	A_g	3815	3474	0.00
3	A_g	1956	1781	0.00
4	A_g	1758	1600	0.00
5	A_g	1554	1415	0.00
6	A_g	1204	1096	0.00
7	A_g	839	764	0.00
8	A_g	574	522	0.00
9	A_g	434	396	0.00
10	A_u	703	640	17.43
11	A_u	517	471	131.09
12	A_u	366	334	368.71
13	A_u	84	77	5.79
14	B_g	930	847	0.00
15	B_g	672	612	0.00
16	B_g	370	337	0.00
17	B_u	3961	3607	206.02
18	B_u	3815	3474	162.82
19	B_u	1911	1740	1002.36
20	B_u	1738	1583	303.45
21	B_u	1405	1279	254.74
22	B_u	1185	1079	0.95
23	B_u	630	574	44.02
24	B_u	300	273	40.06

Atom	x (Å)	y (Å)
C1	0.000	0.770
C2	0.000	-0.770
O3	1.029	1.387
O4	-1.029	-1.387
N5	-1.229	1.294
N6	1.229	-1.294
H7	-1.340	2.282
H8	-2.018	0.688
H9	1.340	-2.282
H10	2.018	-0.688

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5407	1.2003	2.3908	1.3356	2.4021	2.0203	2.0202	3.3337	2.4899
C2	1.5407		2.3908	1.2003	2.4021	1.3356	3.3337	2.4899	2.0203	2.0202
O3	1.2003	2.3908		3.4553	2.2603	2.6884	2.5330	3.1273	3.6827	2.2986
O4	2.3908	1.2003	3.4553		2.6884	2.2603	3.6827	2.2986	2.5330	3.1273
N5	1.3356	2.4021	2.2603	2.6884		3.5685	0.9947	0.9954	4.4030	3.8040
N6	2.4021	1.3356	2.6884	2.2603	3.5685		4.4030	3.8040	0.9947	0.9954
H7	2.0203	3.3337	2.5330	3.6827	0.9947	4.4030		1.7328	5.2931	4.4833
H8	2.0202	2.4899	3.1273	2.2986	0.9954	3.8040	1.7328		4.4833	4.2647
H9	3.3337	2.0203	3.6827	2.5330	4.4030	0.9947	5.2931	4.4833		1.7328
H10	2.4899	2.0202	2.2986	3.1273	3.8040	0.9954	4.4833	4.2647	1.7328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.940	C1	C2	N6	113.064
C1	N5	H7	119.494	C1	N5	H8	119.428
C2	C1	O3	120.940	C2	C1	N5	113.064
C2	N6	H9	119.494	C2	N6	H10	119.428
O3	C1	N5	125.997	O4	C2	N6	125.997
H7	N5	H8	121.079	H9	N6	H10	121.079

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: HF/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.927
2	C	0.927
3	O	-0.764
4	O	-0.764
5	N	-0.153
6	N	-0.153
7	H	-0.012
8	H	0.003
9	H	-0.012
10	H	0.003

<r²>	143.539
(<r²>)^1/2	11.981

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)