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	hartrees
Energy at 0K	-302.309719
Energy at 298.15K	-302.312934
HF Energy	-301.504159
Nuclear repulsion energy	162.431020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3682	3507	117.68
2	A'	3078	2931	44.99
3	A'	1858	1770	142.48
4	A'	1748	1665	62.74
5	A'	1424	1356	328.27
6	A'	1354	1289	12.63
7	A'	1240	1181	6.32
8	A'	904	861	48.34
9	A'	691	658	14.49
10	A'	506	482	4.58
11	A'	288	274	33.47
12	A"	1019	970	2.35
13	A"	711	677	76.81
14	A"	585	557	31.13
15	A"	191	182	20.65

Atom	x (Å)	y (Å)
C1	-0.753	-0.748
C2	0.000	0.587
O3	-0.145	-1.808
O4	-0.573	1.654
O5	1.332	0.426
H6	-1.861	-0.669
H7	1.466	-0.543

	C1	C2	O3	O4	O5	H6	H7
C1		1.5323	1.2221	2.4087	2.3930	1.1112	2.2287
C2	1.5323		2.3993	1.2114	1.3418	2.2451	1.8512
O3	1.2221	2.3993		3.4886	2.6788	2.0598	2.0489
O4	2.4087	1.2114	3.4886		2.2664	2.6563	2.9978
O5	2.3930	1.3418	2.6788	2.2664		3.3760	0.9787
H6	1.1112	2.2451	2.0598	2.6563	3.3760		3.3301
H7	2.2287	1.8512	2.0489	2.9978	0.9787	3.3301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.352	C1	C2	O5	112.564
C2	C1	O3	120.759	C2	C1	H6	115.350
C2	O5	H7	104.747	O3	C1	H6	123.892
O4	C2	O5	125.085

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

using model chemistry: MP2/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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