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	hartrees
Energy at 0K	-338.526343
Energy at 298.15K	-338.532735
HF Energy	-338.526343
Nuclear repulsion energy	233.286344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3779	3600	0.00
2	A_g	3627	3455	0.00
3	A_g	1845	1758	0.00
4	A_g	1607	1531	0.00
5	A_g	1443	1374	0.00
6	A_g	1103	1050	0.00
7	A_g	777	740	0.00
8	A_g	537	511	0.00
9	A_g	382	364	0.00
10	A_u	677	645	0.14
11	A_u	499	475	293.88
12	A_u	381	363	229.38
13	A_u	93	89	7.98
14	B_g	823	784	0.00
15	B_g	659	628	0.00
16	B_g	411	391	0.00
17	B_u	3779	3600	198.57
18	B_u	3627	3455	143.75
19	B_u	1820	1733	791.04
20	B_u	1592	1517	329.38
21	B_u	1336	1273	146.94
22	B_u	1092	1040	13.51
23	B_u	580	553	26.45
24	B_u	249	237	42.58

Atom	x (Å)	y (Å)
C1	-0.053	0.758
C2	0.053	-0.758
O3	-1.143	1.317
O4	1.143	-1.317
N5	1.143	1.366
N6	-1.143	-1.366
H7	1.176	2.372
H8	1.991	0.818
H9	-1.176	-2.372
H10	-1.991	-0.818

	C1	C2	O3	O4	N5	N6	H7	H8	H9	H10
C1		1.5199	1.2253	2.3952	1.3418	2.3878	2.0289	2.0452	3.3259	2.4985
C2	1.5199		2.3952	1.2253	2.3878	1.3418	3.3259	2.4985	2.0289	2.0452
O3	1.2253	2.3952		3.4880	2.2870	2.6832	2.5482	3.1741	3.6895	2.2975
O4	2.3952	1.2253	3.4880		2.6832	2.2870	3.6895	2.2975	2.5482	3.1741
N5	1.3418	2.3878	2.2870	2.6832		3.5628	1.0067	1.0098	4.3995	3.8207
N6	2.3878	1.3418	2.6832	2.2870	3.5628		4.3995	3.8207	1.0067	1.0098
H7	2.0289	3.3259	2.5482	3.6895	1.0067	4.3995		1.7550	5.2958	4.4959
H8	2.0452	2.4985	3.1741	2.2975	1.0098	3.8207	1.7550		4.4959	4.3059
H9	3.3259	2.0289	3.6895	2.5482	4.3995	1.0067	5.2958	4.4959		1.7550
H10	2.4985	2.0452	2.2975	3.1741	3.8207	1.0098	4.4959	4.3059	1.7550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.131	C1	C2	N6	112.954
C1	N5	H7	118.816	C1	N5	H8	120.190
C2	C1	O3	121.131	C2	C1	N5	112.954
C2	N6	H9	118.816	C2	N6	H10	120.190
O3	C1	N5	125.915	O4	C2	N6	125.915
H7	N5	H8	120.993	H9	N6	H10	120.993

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)

using model chemistry: wB97X-D/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	0.466
2	C	0.466
3	O	-0.583
4	O	-0.583
5	N	-0.579
6	N	-0.579
7	H	0.343
8	H	0.353
9	H	0.343
10	H	0.353

	x	y	z
x	8.596	0.251	0.000
y	0.251	6.966	0.000
z	0.000	0.000	4.225

<r²>	145.144
(<r²>)^1/2	12.048

All results from a given calculation for C2H4N2O2 (Oxalamide)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂O₂ (Oxalamide)