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	hartrees
Energy at 0K	-302.271721
Energy at 298.15K	-302.274928
HF Energy	-301.476821
Nuclear repulsion energy	163.281492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3712	3483	103.48
2	A'	3128	2935	27.30
3	A'	1958	1837	171.05
4	A'	1870	1754	89.24
5	A'	1461	1371	370.80
6	A'	1394	1308	20.41
7	A'	1282	1203	14.25
8	A'	926	868	51.25
9	A'	703	660	18.19
10	A'	524	492	6.39
11	A'	304	285	34.19
12	A"	1014	952	4.43
13	A"	684	642	94.31
14	A"	580	545	52.59
15	A"	179	168	27.31

Atom	x (Å)	y (Å)
C1	-0.745	-0.756
C2	0.000	0.582
O3	-0.143	-1.804
O4	-0.587	1.630
O5	1.326	0.452
H6	-1.844	-0.677
H7	1.542	-0.498

	C1	C2	O3	O4	O5	H6	H7
C1		1.5319	1.2086	2.3912	2.3979	1.1016	2.3012
C2	1.5319		2.3905	1.2007	1.3326	2.2326	1.8823
O3	1.2086	2.3905		3.4623	2.6919	2.0410	2.1311
O4	2.3912	1.2007	3.4623		2.2467	2.6266	3.0096
O5	2.3979	1.3326	2.6919	2.2467		3.3650	0.9741
H6	1.1016	2.2326	2.0410	2.6266	3.3650		3.3901
H7	2.3012	1.8823	2.1311	3.0096	0.9741	3.3901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.628	C1	C2	O5	113.494
C2	C1	O3	120.992	C2	C1	H6	114.958
C2	O5	H7	108.380	O3	C1	H6	124.050
O4	C2	O5	124.878

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

using model chemistry: MP3=FULL/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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