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	hartrees
Energy at 0K	-70.772314
Energy at 298.15K	-70.777526
Nuclear repulsion energy	123.006504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3789	3628	72.26
2	A'	3713	3555	71.73
3	A'	3630	3476	75.42
4	A'	1738	1664	192.31
5	A'	1697	1625	368.85
6	A'	1637	1567	119.34
7	A'	1429	1368	5.53
8	A'	1315	1259	105.49
9	A'	1120	1072	180.93
10	A'	1106	1059	93.37
11	A'	772	739	4.82
12	A'	586	561	75.34
13	A'	522	500	0.79
14	A'	417	399	10.29
15	A'	269	257	13.18
16	A"	806	772	5.09
17	A"	695	666	540.59
18	A"	642	615	39.09
19	A"	617	591	12.43
20	A"	415	398	15.32
21	A"	71	68	10.55

Atom	x (Å)	y (Å)
C1	0.000	0.757
C2	-0.056	-0.795
O3	-1.123	-1.447
O4	1.071	1.398
O5	-1.236	1.332
N6	1.211	-1.328
H7	1.314	-2.336
H8	2.027	-0.725
H9	-1.179	2.315

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5528	2.4740	1.2483	1.3632	2.4116	3.3608	2.5105	1.9537
C2	1.5528		1.2512	2.4654	2.4325	1.3744	2.0622	2.0833	3.3063
O3	2.4740	1.2512		3.5933	2.7818	2.3371	2.5945	3.2315	3.7625
O4	1.2483	2.4654	3.5933		2.3081	2.7302	3.7421	2.3279	2.4299
O5	1.3632	2.4325	2.7818	2.3081		3.6147	4.4677	3.8568	0.9842
N6	2.4116	1.3744	2.3371	2.7302	3.6147		1.0129	1.0148	4.3573
H7	3.3608	2.0622	2.5945	3.7421	4.4677	1.0129		1.7617	5.2771
H8	2.5105	2.0833	3.2315	2.3279	3.8568	1.0148	1.7617		4.4176
H9	1.9537	3.3063	3.7625	2.4299	0.9842	4.3573	5.2771	4.4176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.487	C1	C2	N6	110.800
C1	O5	H9	111.646	C2	C1	O4	122.949
C2	C1	O5	112.900	C2	N6	H7	118.715
C2	N6	H8	120.636	O3	C2	N6	125.713
O4	C1	O5	124.151	H7	N6	H8	120.649

All results from a given calculation for C₂H₃NO₃ (Oxamic acid)

using model chemistry: B1B95/CEP-31G

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	-0.195
2	C	-0.094
3	O	-0.064
4	O	-0.105
5	O	-0.250
6	N	-0.409
7	H	0.345
8	H	0.370
9	H	0.401

	x	y	z	Total
	2.627	0.861	0.000	2.764
CHELPG
AIM
ESP

	x	y	z
x	7.083	0.088	0.000
y	0.088	5.860	0.000
z	0.000	0.000	2.673

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H3NO3 (Oxamic acid)

using model chemistry: B1B95/CEP-31G

States and conformations

All results from a given calculation for C₂H₃NO₃ (Oxamic acid)