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	hartrees
Energy at 0K	-338.505953
Energy at 298.15K	-338.512243
Nuclear repulsion energy	233.444770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3732	3602	0.00
2	A_g	3571	3446	0.00
3	A_g	1837	1773	0.00
4	A_g	1572	1517	0.00
5	A_g	1409	1360	0.00
6	A_g	1098	1059	0.00
7	A_g	776	749	0.00
8	A_g	533	515	0.00
9	A_g	394	380	0.00
10	A_u	692	667	0.73
11	A_u	481	464	129.32
12	A_u	323	312	294.73
13	A_u	100	97	1.52
14	B_g	839	810	0.00
15	B_g	675	651	0.00
16	B_g	328	316	0.00
17	B_u	3733	3603	185.04
18	B_u	3571	3446	116.54
19	B_u	1809	1745	606.55
20	B_u	1557	1503	337.11
21	B_u	1318	1272	83.55
22	B_u	1090	1052	12.86
23	B_u	572	552	21.04
24	B_u	272	263	39.73

Atom	x (Å)	y (Å)
C1	0.000	0.772
C2	0.000	-0.772
O3	1.038	1.419
O4	-1.038	-1.419
N5	-1.252	1.260
N6	1.252	-1.260
H7	-1.415	2.257
H8	-2.014	0.591
H9	1.415	-2.257
H10	2.014	-0.591

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5437	1.2232	2.4243	1.3440	2.3866	2.0515	2.0225	3.3432	2.4318
C2	1.5437		2.4243	1.2232	2.3866	1.3440	3.3432	2.4318	2.0515	2.0225
O3	1.2232	2.4243		3.5163	2.2958	2.6874	2.5924	3.1628	3.6953	2.2342
O4	2.4243	1.2232	3.5163		2.6874	2.2958	3.6953	2.2342	2.5924	3.1628
N5	1.3440	2.3866	2.2958	2.6874		3.5526	1.0105	1.0143	4.4140	3.7543
N6	2.3866	1.3440	2.6874	2.2958	3.5526		4.4140	3.7543	1.0105	1.0143
H7	2.0515	3.3432	2.5924	3.6953	1.0105	4.4140		1.7709	5.3281	4.4577
H8	2.0225	2.4318	3.1628	2.2342	1.0143	3.7543	1.7709		4.4577	4.1984
H9	3.3432	2.0515	3.6953	2.5924	4.4140	1.0105	5.3281	4.4577		1.7709
H10	2.4318	2.0225	2.2342	3.1628	3.7543	1.0143	4.4577	4.1984	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.942	C1	C2	N6	111.289
C1	N5	H7	120.573	C1	N5	H8	117.424
C2	C1	O3	121.942	C2	C1	N5	111.289
C2	N6	H9	120.573	C2	N6	H10	117.424
O3	C1	N5	126.769	O4	C2	N6	126.769
H7	N5	H8	122.003	H9	N6	H10	122.003

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3PW91/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	0.110
2	C	0.110
3	O	-0.281
4	O	-0.281
5	N	-0.079
6	N	-0.079
7	H	0.119
8	H	0.130
9	H	0.119
10	H	0.130

<r²>	143.803
(<r²>)^1/2	11.992

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)