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	hartrees
Energy at 0K	-338.504220
Energy at 298.15K	-338.510614
Nuclear repulsion energy	233.138839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3755	3605	0.00
2	A_g	3602	3458	0.00
3	A_g	1817	1745	0.00
4	A_g	1600	1536	0.00
5	A_g	1426	1370	0.00
6	A_g	1103	1059	0.00
7	A_g	774	743	0.00
8	A_g	531	510	0.00
9	A_g	397	381	0.00
10	A_u	678	651	0.26
11	A_u	491	472	257.79
12	A_u	376	361	243.25
13	A_u	96	92	7.86
14	B_g	821	789	0.00
15	B_g	661	635	0.00
16	B_g	402	386	0.00
17	B_u	3755	3606	193.52
18	B_u	3602	3458	131.25
19	B_u	1792	1721	731.73
20	B_u	1595	1531	319.01
21	B_u	1324	1272	130.58
22	B_u	1093	1050	11.52
23	B_u	575	552	24.65
24	B_u	272	261	40.94

Atom	x (Å)	y (Å)
C1	0.000	0.772
C2	0.000	-0.772
O3	1.044	1.414
O4	-1.044	-1.414
N5	-1.245	1.277
N6	1.245	-1.277
H7	-1.386	2.274
H8	-2.026	0.636
H9	1.386	-2.274
H10	2.026	-0.636

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5450	1.2255	2.4229	1.3433	2.3980	2.0440	2.0306	3.3475	2.4672
C2	1.5450		2.4229	1.2255	2.3980	1.3433	3.3475	2.4672	2.0440	2.0306
O3	1.2255	2.4229		3.5154	2.2933	2.6984	2.5784	3.1674	3.7042	2.2724
O4	2.4229	1.2255	3.5154		2.6984	2.2933	3.7042	2.2724	2.5784	3.1674
N5	1.3433	2.3980	2.2933	2.6984		3.5670	1.0074	1.0107	4.4200	3.7891
N6	2.3980	1.3433	2.6984	2.2933	3.5670		4.4200	3.7891	1.0074	1.0107
H7	2.0440	3.3475	2.5784	3.7042	1.0074	4.4200		1.7593	5.3273	4.4846
H8	2.0306	2.4672	3.1674	2.2724	1.0107	3.7891	1.7593		4.4846	4.2467
H9	3.3475	2.0440	3.7042	2.5784	4.4200	1.0074	5.3273	4.4846		1.7593
H10	2.4672	2.0306	2.2724	3.1674	3.7891	1.0107	4.4846	4.2467	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.560	C1	C2	N6	112.060
C1	N5	H7	120.125	C1	N5	H8	118.541
C2	C1	O3	121.560	C2	C1	N5	112.060
C2	N6	H9	120.125	C2	N6	H10	118.541
O3	C1	N5	126.379	O4	C2	N6	126.379
H7	N5	H8	121.334	H9	N6	H10	121.334

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B3PW91/6-31+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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Number	Element	Mulliken
1	C	0.436
2	C	0.436
3	O	-0.570
4	O	-0.570
5	N	-0.550
6	N	-0.550
7	H	0.337
8	H	0.347
9	H	0.337
10	H	0.347

	x	y	z
x	8.695	0.311	0.000
y	0.311	7.139	0.000
z	0.000	0.000	4.209

<r²>	145.130
(<r²>)^1/2	12.047

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)