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	hartrees
Energy at 0K	-302.612454
Energy at 298.15K	-302.615621
HF Energy	-301.610734
Nuclear repulsion energy	163.190390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3681	3503	120.77
2	A'	3078	2928	31.13
3	A'	1829	1740	174.23
4	A'	1738	1654	65.14
5	A'	1396	1328	310.05
6	A'	1359	1294	21.76
7	A'	1232	1172	7.21
8	A'	898	854	53.39
9	A'	688	655	13.63
10	A'	505	480	5.22
11	A'	284	270	33.82
12	A"	1013	964	2.87
13	A"	699	665	81.22
14	A"	582	554	23.85
15	A"	174	166	25.72

Atom	x (Å)	y (Å)
C1	-0.740	-0.758
C2	0.000	0.585
O3	-0.145	-1.810
O4	-0.583	1.635
O5	1.323	0.452
H6	-1.835	-0.673
H7	1.514	-0.497

	C1	C2	O3	O4	O5	H6	H7
C1		1.5335	1.2081	2.3985	2.3919	1.0984	2.2686
C2	1.5335		2.3998	1.2010	1.3300	2.2245	1.8609
O3	1.2081	2.3998		3.4730	2.6975	2.0364	2.1161
O4	2.3985	1.2010	3.4730		2.2436	2.6254	2.9905
O5	2.3919	1.3300	2.6975	2.2436		3.3524	0.9683
H6	1.0984	2.2245	2.0364	2.6254	3.3524		3.3531
H7	2.2686	1.8609	2.1161	2.9905	0.9683	3.3531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.119	C1	C2	O5	113.103
C2	C1	O3	121.707	C2	C1	H6	114.372
C2	O5	H7	107.080	O3	C1	H6	123.921
O4	C2	O5	124.778

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

using model chemistry: MP2/Def2TZVPP

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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