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	hartrees
Energy at 0K	-302.509605
Energy at 298.15K	-302.512804
HF Energy	-301.559658
Nuclear repulsion energy	163.075222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3744	3552	113.99
2	A'	3079	2921	42.32
3	A'	1856	1761	150.79
4	A'	1751	1661	63.21
5	A'	1415	1342	330.89
6	A'	1370	1300	17.14
7	A'	1240	1176	3.20
8	A'	903	857	50.29
9	A'	695	659	15.59
10	A'	510	483	5.09
11	A'	291	276	33.14
12	A"	1017	965	2.13
13	A"	691	656	73.97
14	A"	576	546	43.88
15	A"	183	173	21.83

Atom	x (Å)	y (Å)
C1	-0.748	-0.750
C2	0.000	0.584
O3	-0.144	-1.803
O4	-0.578	1.641
O5	1.328	0.436
H6	-1.847	-0.672
H7	1.482	-0.523

	C1	C2	O3	O4	O5	H6	H7
C1		1.5296	1.2145	2.3966	2.3911	1.1010	2.2422
C2	1.5296		2.3918	1.2042	1.3367	2.2333	1.8502
O3	1.2145	2.3918		3.4711	2.6793	2.0444	2.0696
O4	2.3966	1.2042	3.4711		2.2554	2.6376	2.9876
O5	2.3911	1.3367	2.6793	2.2554		3.3625	0.9706
H6	1.1010	2.2333	2.0444	2.6376	3.3625		3.3322
H7	2.2422	1.8502	2.0696	2.9876	0.9706	3.3322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.030	C1	C2	O5	112.894
C2	C1	O3	120.861	C2	C1	H6	115.224
C2	O5	H7	105.520	O3	C1	H6	123.915
O4	C2	O5	125.076

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

using model chemistry: MP2=FULL/6-311G**

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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