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	hartrees
Energy at 0K	-336.612084
Energy at 298.15K	-336.619036
Nuclear repulsion energy	232.770487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3679	3537	0.00
2	A_g	3518	3381	0.00
3	A_g	1796	1727	0.00
4	A_g	1615	1552	0.00
5	A_g	1406	1351	0.00
6	A_g	1124	1080	0.00
7	A_g	754	725	0.00
8	A_g	551	529	0.00
9	A_g	401	385	0.00
10	A_u	747	718	452.02
11	A_u	691	664	223.50
12	A_u	443	425	57.77
13	A_u	149	144	13.52
14	B_g	876	842	0.00
15	B_g	746	717	0.00
16	B_g	622	598	0.00
17	B_u	3680	3537	158.53
18	B_u	3519	3382	126.71
19	B_u	1773	1704	340.54
20	B_u	1632	1569	434.12
21	B_u	1344	1291	135.85
22	B_u	1122	1079	12.48
23	B_u	585	562	14.33
24	B_u	275	264	49.29

Atom	x (Å)	y (Å)
C1	0.000	0.771
C2	0.000	-0.771
O3	1.058	1.422
O4	-1.058	-1.422
N5	-1.262	1.233
N6	1.262	-1.233
H7	-1.465	2.223
H8	-2.001	0.532
H9	1.465	-2.223
H10	2.001	-0.532

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5416	1.2426	2.4350	1.3442	2.3680	2.0628	2.0147	3.3332	2.3873
C2	1.5416		2.4350	1.2426	2.3680	1.3442	3.3332	2.3873	2.0628	2.0147
O3	1.2426	2.4350		3.5455	2.3280	2.6630	2.6467	3.1855	3.6684	2.1698
O4	2.4350	1.2426	3.5455		2.6630	2.3280	3.6684	2.1698	2.6467	3.1855
N5	1.3442	2.3680	2.3280	2.6630		3.5288	1.0111	1.0179	4.4024	3.7095
N6	2.3680	1.3442	2.6630	2.3280	3.5288		4.4024	3.7095	1.0111	1.0179
H7	2.0628	3.3332	2.6467	3.6684	1.0111	4.4024		1.7743	5.3249	4.4271
H8	2.0147	2.3873	3.1855	2.1698	1.0179	3.7095	1.7743		4.4271	4.1401
H9	3.3332	2.0628	3.6684	2.6467	4.4024	1.0111	5.3249	4.4271		1.7743
H10	2.3873	2.0147	2.1698	3.1855	3.7095	1.0179	4.4271	4.1401	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.629	C1	C2	N6	110.102
C1	N5	H7	121.645	C1	N5	H8	116.391
C2	C1	O3	121.629	C2	C1	N5	110.102
C2	N6	H9	121.645	C2	N6	H10	116.391
O3	C1	N5	128.269	O4	C2	N6	128.269
H7	N5	H8	121.965	H9	N6	H10	121.965

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3PW91/3-21G

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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Number	Element	Mulliken
1	C	0.614
2	C	0.614
3	O	-0.526
4	O	-0.526
5	N	-0.793
6	N	-0.793
7	H	0.344
8	H	0.360
9	H	0.344
10	H	0.360

<r²>	143.811
(<r²>)^1/2	11.992

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)