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	hartrees
Energy at 0K	-303.045387
Energy at 298.15K	-303.048369
HF Energy	-303.045387
Nuclear repulsion energy	160.765725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3488	3470	78.26
2	A'	2933	2918	45.49
3	A'	1749	1740	211.91
4	A'	1703	1694	75.37
5	A'	1310	1303	20.21
6	A'	1304	1297	307.12
7	A'	1149	1143	1.09
8	A'	832	827	52.43
9	A'	653	650	11.45
10	A'	474	472	5.85
11	A'	267	266	31.76
12	A"	960	955	2.97
13	A"	674	670	86.73
14	A"	537	534	28.63
15	A"	156	155	28.28

Atom	x (Å)	y (Å)
C1	-0.760	-0.762
C2	0.000	0.585
O3	-0.157	-1.830
O4	-0.586	1.657
O5	1.351	0.455
H6	-1.868	-0.680
H7	1.554	-0.514

	C1	C2	O3	O4	O5	H6	H7
C1		1.5472	1.2260	2.4254	2.4368	1.1115	2.3269
C2	1.5472		2.4204	1.2209	1.3576	2.2566	1.9035
O3	1.2260	2.4204		3.5129	2.7376	2.0617	2.1583
O4	2.4254	1.2209	3.5129		2.2795	2.6659	3.0478
O5	2.4368	1.3576	2.7376	2.2795		3.4137	0.9897
H6	1.1115	2.2566	2.0617	2.6659	3.4137		3.4261
H7	2.3269	1.9035	2.1583	3.0478	0.9897	3.4261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.932	C1	C2	O5	113.888
C2	C1	O3	121.135	C2	C1	H6	115.173
C2	O5	H7	107.333	O3	C1	H6	123.692
O4	C2	O5	124.180

All results from a given calculation for CHOCOOH (oxo acetic acid)

using model chemistry: BLYP/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	0.238
2	C	0.381
3	O	-0.344
4	O	-0.398
5	O	-0.388
6	H	0.154
7	H	0.357

	x	y	z	Total
	-0.315	-1.942	0.000	1.967
CHELPG
AIM
ESP

	x	y	z
x	5.918	-0.710	0.000
y	-0.710	6.770	0.000
z	0.000	0.000	3.091

<r²>	102.458
(<r²>)^1/2	10.122