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	hartrees
Energy at 0K	-338.564573
Energy at 298.15K	-338.571007
Nuclear repulsion energy	233.843890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3748	3608	0.00
2	A_g	3607	3473	0.00
3	A_g	1829	1761	0.00
4	A_g	1625	1564	0.00
5	A_g	1426	1373	0.00
6	A_g	1117	1075	0.00
7	A_g	773	744	0.00
8	A_g	534	514	0.00
9	A_g	400	385	0.00
10	A_u	696	670	0.77
11	A_u	501	483	285.66
12	A_u	368	355	269.56
13	A_u	99	96	4.68
14	B_g	840	809	0.00
15	B_g	678	653	0.00
16	B_g	394	379	0.00
17	B_u	3748	3608	135.85
18	B_u	3607	3473	104.82
19	B_u	1801	1734	651.69
20	B_u	1626	1565	333.06
21	B_u	1327	1277	134.57
22	B_u	1108	1067	7.86
23	B_u	577	556	23.22
24	B_u	278	268	38.66

Atom	x (Å)	y (Å)
C1	0.000	0.772
C2	0.000	-0.772
O3	1.034	1.416
O4	-1.034	-1.416
N5	-1.249	1.263
N6	1.249	-1.263
H7	-1.406	2.256
H8	-2.021	0.615
H9	1.406	-2.256
H10	2.021	-0.615

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5449	1.2179	2.4201	1.3421	2.3884	2.0444	2.0267	3.3393	2.4510
C2	1.5449		2.4201	1.2179	2.3884	1.3421	3.3393	2.4510	2.0444	2.0267
O3	1.2179	2.4201		3.5063	2.2884	2.6875	2.5814	3.1580	3.6906	2.2573
O4	2.4201	1.2179	3.5063		2.6875	2.2884	3.6906	2.2573	2.5814	3.1580
N5	1.3421	2.3884	2.2884	2.6875		3.5531	1.0053	1.0078	4.4089	3.7707
N6	2.3884	1.3421	2.6875	2.2884	3.5531		4.4089	3.7707	1.0053	1.0078
H7	2.0444	3.3393	2.5814	3.6906	1.0053	4.4089		1.7525	5.3173	4.4707
H8	2.0267	2.4510	3.1580	2.2573	1.0078	3.7707	1.7525		4.4707	4.2241
H9	3.3393	2.0444	3.6906	2.5814	4.4089	1.0053	5.3173	4.4707		1.7525
H10	2.4510	2.0267	2.2573	3.1580	3.7707	1.0078	4.4707	4.2241	1.7525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.873	C1	C2	N6	111.452
C1	N5	H7	120.456	C1	N5	H8	118.499
C2	C1	O3	121.873	C2	C1	N5	111.452
C2	N6	H9	120.456	C2	N6	H10	118.499
O3	C1	N5	126.675	O4	C2	N6	126.675
H7	N5	H8	121.045	H9	N6	H10	121.045

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3PW91/6-311G*

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	0.424
2	C	0.424
3	O	-0.384
4	O	-0.384
5	N	-0.801
6	N	-0.801
7	H	0.369
8	H	0.393
9	H	0.369
10	H	0.393

<r²>	143.867
(<r²>)^1/2	11.994

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)