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	hartrees
Energy at 0K	-336.650551
Energy at 298.15K	-336.657545
Nuclear repulsion energy	233.310383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3701	3533	0.00
2	A_g	3540	3379	0.00
3	A_g	1815	1732	0.00
4	A_g	1628	1554	0.00
5	A_g	1421	1357	0.00
6	A_g	1134	1083	0.00
7	A_g	763	728	0.00
8	A_g	556	531	0.00
9	A_g	405	387	0.00
10	A_u	756	721	499.81
11	A_u	696	664	192.63
12	A_u	446	426	55.00
13	A_u	150	143	13.80
14	B_g	883	843	0.00
15	B_g	752	717	0.00
16	B_g	629	600	0.00
17	B_u	3702	3533	168.00
18	B_u	3541	3380	136.40
19	B_u	1792	1710	360.68
20	B_u	1643	1568	438.03
21	B_u	1355	1294	137.19
22	B_u	1132	1081	12.93
23	B_u	589	562	15.13
24	B_u	278	266	49.36

Atom	x (Å)	y (Å)
C1	0.000	0.769
C2	0.000	-0.769
O3	1.057	1.417
O4	-1.057	-1.417
N5	-1.259	1.231
N6	1.259	-1.231
H7	-1.460	2.220
H8	-1.997	0.532
H9	1.460	-2.220
H10	1.997	-0.532

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5374	1.2398	2.4275	1.3412	2.3630	2.0586	2.0110	3.3264	2.3835
C2	1.5374		2.4275	1.2398	2.3630	1.3412	3.3264	2.3835	2.0586	2.0110
O3	1.2398	2.4275		3.5351	2.3235	2.6553	2.6419	3.1796	3.6592	2.1639
O4	2.4275	1.2398	3.5351		2.6553	2.3235	3.6592	2.1639	2.6419	3.1796
N5	1.3412	2.3630	2.3235	2.6553		3.5215	1.0095	1.0163	4.3934	3.7029
N6	2.3630	1.3412	2.6553	2.3235	3.5215		4.3934	3.7029	1.0095	1.0163
H7	2.0586	3.3264	2.6419	3.6592	1.0095	4.3934		1.7714	5.3143	4.4189
H8	2.0110	2.3835	3.1796	2.1639	1.0163	3.7029	1.7714		4.4189	4.1337
H9	3.3264	2.0586	3.6592	2.6419	4.3934	1.0095	5.3143	4.4189		1.7714
H10	2.3835	2.0110	2.1639	3.1796	3.7029	1.0163	4.4189	4.1337	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.507	C1	C2	N6	110.162
C1	N5	H7	121.627	C1	N5	H8	116.416
C2	C1	O3	121.507	C2	C1	N5	110.162
C2	N6	H9	121.627	C2	N6	H10	116.416
O3	C1	N5	128.331	O4	C2	N6	128.331
H7	N5	H8	121.958	H9	N6	H10	121.958

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: mPW1PW91/3-21G

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	0.628
2	C	0.628
3	O	-0.535
4	O	-0.535
5	N	-0.806
6	N	-0.806
7	H	0.348
8	H	0.364
9	H	0.348
10	H	0.364

<r²>	143.253
(<r²>)^1/2	11.969

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)