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	hartrees
Energy at 0K	-373.108181
Energy at 298.15K	-373.112167
HF Energy	-373.108181
Nuclear repulsion energy	231.748855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2929	2574	0.00
2	A_g	1865	1639	0.00
3	A_g	1740	1530	0.00
4	A_g	1243	1092	0.00
5	A_g	885	778	0.00
6	A_g	648	570	0.00
7	A_g	216	190	0.00
8	A_u	1137	999	125.09
9	A_u	385	339	17.26
10	A_u	226	199	0.06
11	B_g	1151	1012	0.00
12	B_g	738	649	0.00
13	B_u	3012	2647	409.88
14	B_u	2027	1781	103.53
15	B_u	1671	1468	505.58
16	B_u	1279	1124	8.27
17	B_u	636	559	17.11
18	B_u	359	315	88.03

Atom	x (Å)	y (Å)
C1	-0.045	0.775
C2	0.045	-0.775
O3	1.220	1.276
O4	-1.220	-1.276
O5	-1.220	1.246
O6	1.220	-1.246
H7	1.687	0.304
H8	-1.687	-0.304

	C1	C2	O3	O4	O5	O6	H7	H8
C1		1.5521	1.3610	2.3635	1.2664	2.3845	1.7953	1.9649
C2	1.5521		2.3635	1.3610	2.3845	1.2664	1.9649	1.7953
O3	1.3610	2.3635		3.5310	2.4409	2.5222	1.0784	3.3092
O4	2.3635	1.3610	3.5310		2.5222	2.4409	3.3092	1.0784
O5	1.2664	2.3845	2.4409	2.5222		3.4886	3.0567	1.6190
O6	2.3845	1.2664	2.5222	2.4409	3.4886		1.6190	3.0567
H7	1.7953	1.9649	1.0784	3.3092	3.0567	1.6190		3.4291
H8	1.9649	1.7953	3.3092	1.0784	1.6190	3.0567	3.4291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	108.277	C1	C2	O6	115.190
C1	O3	H7	94.061	C2	C1	O3	108.277
C2	C1	O5	115.190	C2	O4	H8	94.061
O3	C1	O5	136.533	O4	C2	O6	136.533

All results from a given calculation for C₂H₂O₄ (Oxalic Acid)

using model chemistry: mPW1PW91/STO-3G

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	0.187
2	C	0.187
3	O	-0.206
4	O	-0.206
5	O	-0.210
6	O	-0.210
7	H	0.229
8	H	0.229

	x	y	z
x	4.785	-0.259	0.000
y	-0.259	2.873	0.000
z	0.000	0.000	0.711

<r²>	131.296
(<r²>)^1/2	11.458

All results from a given calculation for C2H2O4 (Oxalic Acid)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for C₂H₂O₄ (Oxalic Acid)