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	hartrees
Energy at 0K	-338.487118
Energy at 298.15K	-338.493486
Nuclear repulsion energy	233.490557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3765	3609	0.00
2	A_g	3609	3459	0.00
3	A_g	1845	1768	0.00
4	A_g	1599	1533	0.00
5	A_g	1426	1366	0.00
6	A_g	1107	1061	0.00
7	A_g	775	743	0.00
8	A_g	535	513	0.00
9	A_g	397	380	0.00
10	A_u	690	661	0.21
11	A_u	494	474	258.98
12	A_u	354	340	281.05
13	A_u	100	96	3.04
14	B_g	819	785	0.00
15	B_g	675	647	0.00
16	B_g	376	361	0.00
17	B_u	3766	3609	180.65
18	B_u	3609	3459	122.24
19	B_u	1818	1743	579.22
20	B_u	1593	1526	357.75
21	B_u	1327	1272	106.95
22	B_u	1099	1054	14.21
23	B_u	573	549	21.95
24	B_u	277	265	41.54

Atom	x (Å)	y (Å)
C1	0.000	0.772
C2	0.000	-0.772
O3	1.041	1.416
O4	-1.041	-1.416
N5	-1.251	1.262
N6	1.251	-1.262
H7	-1.407	2.256
H8	-2.015	0.603
H9	1.407	-2.256
H10	2.015	-0.603

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5438	1.2242	2.4231	1.3432	2.3878	2.0454	2.0223	3.3391	2.4393
C2	1.5438		2.4231	1.2242	2.3878	1.3432	3.3391	2.4393	2.0454	2.0223
O3	1.2242	2.4231		3.5153	2.2966	2.6867	2.5883	3.1626	3.6906	2.2416
O4	2.4231	1.2242	3.5153		2.6867	2.2966	3.6906	2.2416	2.5883	3.1626
N5	1.3432	2.3878	2.2966	2.6867		3.5536	1.0062	1.0099	4.4094	3.7607
N6	2.3878	1.3432	2.6867	2.2966	3.5536		4.4094	3.7607	1.0062	1.0099
H7	2.0454	3.3391	2.5883	3.6906	1.0062	4.4094		1.7617	5.3181	4.4594
H8	2.0223	2.4393	3.1626	2.2416	1.0099	3.7607	1.7617		4.4594	4.2067
H9	3.3391	2.0454	3.6906	2.5883	4.4094	1.0062	5.3181	4.4594		1.7617
H10	2.4393	2.0223	2.2416	3.1626	3.7607	1.0099	4.4594	4.2067	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.761	C1	C2	N6	111.410
C1	N5	H7	120.379	C1	N5	H8	117.806
C2	C1	O3	121.761	C2	C1	N5	111.410
C2	N6	H9	120.379	C2	N6	H10	117.806
O3	C1	N5	126.829	O4	C2	N6	126.829
H7	N5	H8	121.815	H9	N6	H10	121.815

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3PW91/6-31G**

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	0.543
2	C	0.543
3	O	-0.530
4	O	-0.530
5	N	-0.638
6	N	-0.638
7	H	0.304
8	H	0.322
9	H	0.304
10	H	0.322

<r²>	143.764
(<r²>)^1/2	11.990

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)