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	hartrees
Energy at 0K	-338.546784
Energy at 298.15K	-338.553221
Nuclear repulsion energy	233.633449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3779	3597	0.00
2	A_g	3625	3450	0.00
3	A_g	1836	1747	0.00
4	A_g	1614	1536	0.00
5	A_g	1441	1371	0.00
6	A_g	1112	1059	0.00
7	A_g	782	744	0.00
8	A_g	536	511	0.00
9	A_g	400	381	0.00
10	A_u	681	648	0.33
11	A_u	498	474	270.62
12	A_u	380	362	240.50
13	A_u	97	93	8.15
14	B_g	829	789	0.00
15	B_g	665	633	0.00
16	B_g	408	388	0.00
17	B_u	3780	3598	201.94
18	B_u	3625	3451	138.98
19	B_u	1810	1723	754.88
20	B_u	1605	1528	325.51
21	B_u	1336	1271	131.54
22	B_u	1102	1049	11.84
23	B_u	579	551	25.56
24	B_u	274	261	41.08

Atom	x (Å)	y (Å)
C1	0.000	0.771
C2	0.000	-0.771
O3	1.043	1.409
O4	-1.043	-1.409
N5	-1.242	1.275
N6	1.242	-1.275
H7	-1.381	2.271
H8	-2.022	0.636
H9	1.381	-2.271
H10	2.022	-0.636

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5418	1.2227	2.4166	1.3407	2.3938	2.0396	2.0267	3.3412	2.4632
C2	1.5418		2.4166	1.2227	2.3938	1.3407	3.3412	2.4632	2.0396	2.0267
O3	1.2227	2.4166		3.5061	2.2889	2.6919	2.5731	3.1612	3.6960	2.2670
O4	2.4166	1.2227	3.5061		2.6919	2.2889	3.6960	2.2670	2.5731	3.1612
N5	1.3407	2.3938	2.2889	2.6919		3.5606	1.0057	1.0090	4.4117	3.7825
N6	2.3938	1.3407	2.6919	2.2889	3.5606		4.4117	3.7825	1.0057	1.0090
H7	2.0396	3.3412	2.5731	3.6960	1.0057	4.4117		1.7569	5.3169	4.4760
H8	2.0267	2.4632	3.1612	2.2670	1.0090	3.7825	1.7569		4.4760	4.2394
H9	3.3412	2.0396	3.6960	2.5731	4.4117	1.0057	5.3169	4.4760		1.7569
H10	2.4632	2.0267	2.2670	3.1612	3.7825	1.0090	4.4760	4.2394	1.7569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.463	C1	C2	N6	112.108
C1	N5	H7	120.070	C1	N5	H8	118.530
C2	C1	O3	121.463	C2	C1	N5	112.108
C2	N6	H9	120.070	C2	N6	H10	118.530
O3	C1	N5	126.429	O4	C2	N6	126.429
H7	N5	H8	121.401	H9	N6	H10	121.401

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: mPW1PW91/6-31+G**

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	0.439
2	C	0.439
3	O	-0.570
4	O	-0.570
5	N	-0.564
6	N	-0.564
7	H	0.343
8	H	0.352
9	H	0.343
10	H	0.352

<r²>	144.620
(<r²>)^1/2	12.026

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)