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	hartrees
Energy at 0K	-338.742306
Energy at 298.15K	-338.748582
HF Energy	-338.742306
Nuclear repulsion energy	233.466217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3703	3586	0.00
2	A_g	3555	3442	0.00
3	A_g	1781	1725	0.00
4	A_g	1582	1532	0.00
5	A_g	1403	1358	0.00
6	A_g	1095	1060	0.00
7	A_g	761	737	0.00
8	A_g	522	505	0.00
9	A_g	385	373	0.00
10	A_u	685	663	0.43
11	A_u	471	456	143.20
12	A_u	339	329	255.96
13	A_u	95	92	4.70
14	B_g	823	797	0.00
15	B_g	669	647	0.00
16	B_g	352	341	0.00
17	B_u	3704	3586	153.21
18	B_u	3555	3443	99.64
19	B_u	1755	1700	616.37
20	B_u	1587	1536	294.56
21	B_u	1304	1263	128.85
22	B_u	1083	1048	5.80
23	B_u	563	545	23.50
24	B_u	264	255	39.94

Atom	x (Å)	y (Å)
C1	-0.055	0.756
C2	0.055	-0.756
O3	-1.145	1.322
O4	1.145	-1.322
N5	1.145	1.360
N6	-1.145	-1.360
H7	1.187	2.364
H8	1.987	0.805
H9	-1.187	-2.364
H10	-1.987	-0.805

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5170	1.2282	2.4008	1.3439	2.3807	2.0314	2.0427	3.3192	2.4839
C2	1.5170		2.4008	1.2282	2.3807	1.3439	3.3192	2.4839	2.0314	2.0427
O3	1.2282	2.4008		3.4990	2.2912	2.6824	2.5542	3.1746	3.6866	2.2880
O4	2.4008	1.2282	3.4990		2.6824	2.2912	3.6866	2.2880	2.5542	3.1746
N5	1.3439	2.3807	2.2912	2.6824		3.5561	1.0048	1.0077	4.3939	3.8078
N6	2.3807	1.3439	2.6824	2.2912	3.5561		4.3939	3.8078	1.0048	1.0077
H7	2.0314	3.3192	2.5542	3.6866	1.0048	4.3939		1.7519	5.2902	4.4850
H8	2.0427	2.4839	3.1746	2.2880	1.0077	3.8078	1.7519		4.4850	4.2876
H9	3.3192	2.0314	3.6866	2.5542	4.3939	1.0048	5.2902	4.4850		1.7519
H10	2.4839	2.0427	2.2880	3.1746	3.8078	1.0077	4.4850	4.2876	1.7519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.622	C1	C2	N6	112.498
C1	N5	H7	119.041	C1	N5	H8	119.923
C2	C1	O3	121.622	C2	C1	N5	112.498
C2	N6	H9	119.041	C2	N6	H10	119.923
O3	C1	N5	125.881	O4	C2	N6	125.881
H7	N5	H8	121.036	H9	N6	H10	121.036

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: TPSSh/cc-pVTZ

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	0.206
2	C	0.206
3	O	-0.351
4	O	-0.351
5	N	-0.190
6	N	-0.190
7	H	0.160
8	H	0.175
9	H	0.160
10	H	0.175

	x	y	z
x	8.316	0.528	0.000
y	0.528	7.253	0.000
z	0.000	0.000	3.793

<r²>	144.282
(<r²>)^1/2	12.012

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)