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	hartrees
Energy at 0K	-338.520262
Energy at 298.15K	-338.526568
Nuclear repulsion energy	234.048443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3743	3598	0.00
2	A_g	3579	3440	0.00
3	A_g	1854	1782	0.00
4	A_g	1578	1517	0.00
5	A_g	1412	1357	0.00
6	A_g	1100	1057	0.00
7	A_g	780	749	0.00
8	A_g	534	514	0.00
9	A_g	393	378	0.00
10	A_u	693	666	1.22
11	A_u	481	463	128.06
12	A_u	328	315	290.17
13	A_u	102	98	1.96
14	B_g	839	807	0.00
15	B_g	676	650	0.00
16	B_g	332	319	0.00
17	B_u	3744	3599	188.94
18	B_u	3580	3441	122.85
19	B_u	1826	1755	619.87
20	B_u	1558	1498	340.72
21	B_u	1320	1269	77.54
22	B_u	1092	1050	13.10
23	B_u	570	548	21.56
24	B_u	272	261	38.90

Atom	x (Å)	y (Å)
C1	-0.062	0.767
C2	0.062	-0.767
O3	-1.146	1.327
O4	1.146	-1.327
N5	1.146	1.349
N6	-1.146	-1.349
H7	1.233	2.355
H8	1.954	0.739
H9	-1.233	-2.355
H10	-1.954	-0.739

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5393	1.2206	2.4180	1.3409	2.3783	2.0485	2.0161	3.3343	2.4185
C2	1.5393		2.4180	1.2206	2.3783	1.3409	3.3343	2.4185	2.0485	2.0161
O3	1.2206	2.4180		3.5076	2.2924	2.6769	2.5916	3.1557	3.6830	2.2186
O4	2.4180	1.2206	3.5076		2.6769	2.2924	3.6830	2.2186	2.5916	3.1557
N5	1.3409	2.3783	2.2924	2.6769		3.5410	1.0089	1.0128	4.4023	3.7380
N6	2.3783	1.3409	2.6769	2.2924	3.5410		4.4023	3.7380	1.0089	1.0128
H7	2.0485	3.3343	2.5916	3.6830	1.0089	4.4023		1.7693	5.3158	4.4415
H8	2.0161	2.4185	3.1557	2.2186	1.0128	3.7380	1.7693		4.4415	4.1782
H9	3.3343	2.0485	3.6830	2.5916	4.4023	1.0089	5.3158	4.4415		1.7693
H10	2.4185	2.0161	2.2186	3.1557	3.7380	1.0128	4.4415	4.1782	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.925	C1	C2	N6	111.133
C1	N5	H7	120.683	C1	N5	H8	117.181
C2	C1	O3	121.925	C2	C1	N5	111.133
C2	N6	H9	120.683	C2	N6	H10	117.181
O3	C1	N5	126.941	O4	C2	N6	126.941
H7	N5	H8	122.136	H9	N6	H10	122.136

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: B1B95/cc-pVDZ

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	0.101
2	C	0.101
3	O	-0.275
4	O	-0.275
5	N	-0.065
6	N	-0.065
7	H	0.113
8	H	0.125
9	H	0.113
10	H	0.125

	x	y	z
x	7.490	0.556	0.000
y	0.556	6.313	0.000
z	0.000	0.000	2.776

<r²>	143.071
(<r²>)^1/2	11.961

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)