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	hartrees
Energy at 0K	-338.264674
Energy at 298.15K	-338.270820
Nuclear repulsion energy	232.368028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3657	3619	0.00
2	A_g	3495	3459	0.00
3	A_g	1768	1750	0.00
4	A_g	1520	1504	0.00
5	A_g	1359	1345	0.00
6	A_g	1063	1052	0.00
7	A_g	746	738	0.00
8	A_g	514	508	0.00
9	A_g	380	376	0.00
10	A_u	685	678	0.05
11	A_u	468	463	118.70
12	A_u	309	306	268.23
13	A_u	101	99	1.03
14	B_g	806	798	0.00
15	B_g	673	666	0.00
16	B_g	320	316	0.00
17	B_u	3657	3620	154.74
18	B_u	3495	3459	90.27
19	B_u	1746	1728	463.75
20	B_u	1523	1508	331.14
21	B_u	1272	1259	77.10
22	B_u	1057	1046	12.30
23	B_u	547	542	17.38
24	B_u	268	265	40.95

Atom	x (Å)	y (Å)
C1	-0.065	0.773
C2	0.065	-0.773
O3	-1.156	1.341
O4	1.156	-1.341
N5	1.156	1.353
N6	-1.156	-1.353
H7	1.255	2.360
H8	1.961	0.731
H9	-1.255	-2.360
H10	-1.961	-0.731

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5512	1.2304	2.4415	1.3518	2.3896	2.0646	2.0264	3.3517	2.4201
C2	1.5512		2.4415	1.2304	2.3896	1.3518	3.3517	2.4201	2.0646	2.0264
O3	1.2304	2.4415		3.5417	2.3122	2.6945	2.6176	3.1763	3.7032	2.2232
O4	2.4415	1.2304	3.5417		2.6945	2.3122	3.7032	2.2232	2.6176	3.1763
N5	1.3518	2.3896	2.3122	2.6945		3.5594	1.0123	1.0174	4.4276	3.7496
N6	2.3896	1.3518	2.6945	2.3122	3.5594		4.4276	3.7496	1.0123	1.0174
H7	2.0646	3.3517	2.6176	3.7032	1.0123	4.4276		1.7759	5.3467	4.4609
H8	2.0264	2.4201	3.1763	2.2232	1.0174	3.7496	1.7759		4.4609	4.1857
H9	3.3517	2.0646	3.7032	2.6176	4.4276	1.0123	5.3467	4.4609		1.7759
H10	2.4201	2.0264	2.2232	3.1763	3.7496	1.0174	4.4609	4.1857	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.323	C1	C2	N6	110.614
C1	N5	H7	121.027	C1	N5	H8	116.886
C2	C1	O3	122.323	C2	C1	N5	110.614
C2	N6	H9	121.027	C2	N6	H10	116.886
O3	C1	N5	127.063	O4	C2	N6	127.063
H7	N5	H8	122.087	H9	N6	H10	122.087

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.320
2	C	0.320
3	O	-0.353
4	O	-0.353
5	N	-0.517
6	N	-0.517
7	H	0.270
8	H	0.280
9	H	0.270
10	H	0.280

	x	y	z
x	8.047	0.679	0.000
y	0.679	7.140	0.000
z	0.000	0.000	3.322

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)