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	hartrees
Energy at 0K	-301.879258
Energy at 298.15K	-301.882306
HF Energy	-301.310765
Nuclear repulsion energy	158.954857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3551	3397	81.81
2	A'	3121	2986	28.30
3	A'	1691	1618	74.18
4	A'	1569	1502	23.09
5	A'	1369	1310	6.71
6	A'	1301	1244	336.99
7	A'	1197	1145	7.22
8	A'	852	815	72.49
9	A'	660	631	12.09
10	A'	502	480	4.66
11	A'	289	277	32.91
12	A"	960	919	5.06
13	A"	638	611	138.96
14	A"	530	507	58.70
15	A"	175	167	26.88

Atom	x (Å)	y (Å)
C1	-0.788	-0.730
C2	0.000	0.575
O3	-0.191	-1.842
O4	-0.559	1.689
O5	1.374	0.417
H6	-1.881	-0.635
H7	1.618	-0.540

	C1	C2	O3	O4	O5	H6	H7
C1		1.5247	1.2623	2.4305	2.4478	1.0970	2.4143
C2	1.5247		2.4246	1.2469	1.3829	2.2366	1.9651
O3	1.2623	2.4246		3.5508	2.7483	2.0772	2.2295
O4	2.4305	1.2469	3.5508		2.3140	2.6742	3.1161
O5	2.4478	1.3829	2.7483	2.3140		3.4209	0.9875
H6	1.0970	2.2366	2.0772	2.6742	3.4209		3.5010
H7	2.4143	1.9651	2.2295	3.1161	0.9875	3.5010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.234	C1	C2	O5	114.584
C2	C1	O3	120.617	C2	C1	H6	116.153
C2	O5	H7	110.891	O3	C1	H6	123.230
O4	C2	O5	123.182

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

using model chemistry: MP2/6-31G

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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