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	hartrees
Energy at 0K	-336.617056
Energy at 298.15K	-336.624010
Nuclear repulsion energy	233.434058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3685	3525	0.00
2	A_g	3518	3366	0.00
3	A_g	1806	1728	0.00
4	A_g	1613	1543	0.00
5	A_g	1411	1350	0.00
6	A_g	1123	1075	0.00
7	A_g	759	727	0.00
8	A_g	552	528	0.00
9	A_g	396	379	0.00
10	A_u	754	722	479.78
11	A_u	691	661	197.75
12	A_u	443	423	53.05
13	A_u	151	145	13.51
14	B_g	873	835	0.00
15	B_g	751	718	0.00
16	B_g	626	599	0.00
17	B_u	3685	3525	160.18
18	B_u	3519	3367	134.39
19	B_u	1785	1708	360.60
20	B_u	1629	1559	428.81
21	B_u	1346	1288	132.87
22	B_u	1122	1073	14.35
23	B_u	584	558	13.91
24	B_u	270	259	50.24

Atom	x (Å)	y (Å)
C1	-0.059	0.766
C2	0.059	-0.766
O3	-1.163	1.331
O4	1.163	-1.331
N5	1.163	1.318
N6	-1.163	-1.318
H7	1.295	2.319
H8	1.947	0.671
H9	-1.295	-2.319
H10	-1.947	-0.671

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5371	1.2398	2.4270	1.3410	2.3589	2.0606	2.0084	3.3239	2.3727
C2	1.5371		2.4270	1.2398	2.3589	1.3410	3.3239	2.3727	2.0606	2.0084
O3	1.2398	2.4270		3.5344	2.3260	2.6490	2.6498	3.1792	3.6521	2.1495
O4	2.4270	1.2398	3.5344		2.6490	2.3260	3.6521	2.1495	2.6498	3.1792
N5	1.3410	2.3589	2.3260	2.6490		3.5161	1.0094	1.0169	4.3904	3.6918
N6	2.3589	1.3410	2.6490	2.3260	3.5161		4.3904	3.6918	1.0094	1.0169
H7	2.0606	3.3239	2.6498	3.6521	1.0094	4.3904		1.7724	5.3128	4.4106
H8	2.0084	2.3727	3.1792	2.1495	1.0169	3.6918	1.7724		4.4106	4.1187
H9	3.3239	2.0606	3.6521	2.6498	4.3904	1.0094	5.3128	4.4106		1.7724
H10	2.3727	2.0084	2.1495	3.1792	3.6918	1.0169	4.4106	4.1187	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.485	C1	C2	N6	109.903
C1	N5	H7	121.853	C1	N5	H8	116.132
C2	C1	O3	121.485	C2	C1	N5	109.903
C2	N6	H9	121.853	C2	N6	H10	116.132
O3	C1	N5	128.612	O4	C2	N6	128.612
H7	N5	H8	122.014	H9	N6	H10	122.014

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B1B95/3-21G

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	0.612
2	C	0.612
3	O	-0.523
4	O	-0.523
5	N	-0.788
6	N	-0.788
7	H	0.341
8	H	0.358
9	H	0.341
10	H	0.358

	x	y	z
x	6.930	0.473	0.000
y	0.473	5.426	0.000
z	0.000	0.000	1.696

<r²>	142.983
(<r²>)^1/2	11.958

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)