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	hartrees
Energy at 0K	-59.544647
Energy at 298.15K	-59.547541
HF Energy	-59.045749
Nuclear repulsion energy	83.909780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3597	3476	80.26
2	A'	3111	3006	44.82
3	A'	1627	1572	83.61
4	A'	1523	1472	32.45
5	A'	1323	1279	4.11
6	A'	1255	1213	356.81
7	A'	1156	1117	3.47
8	A'	817	789	83.90
9	A'	633	611	11.96
10	A'	475	459	6.31
11	A'	265	256	32.42
12	A"	928	897	6.63
13	A"	607	587	130.53
14	A"	507	490	74.22
15	A"	162	157	33.00

Atom	x (Å)	y (Å)
C1	-0.806	-0.755
C2	0.000	0.589
O3	-0.200	-1.882
O4	-0.562	1.722
O5	1.398	0.431
H6	-1.911	-0.654
H7	1.659	-0.528

	C1	C2	O3	O4	O5	H6	H7
C1		1.5673	1.2795	2.4888	2.5030	1.1094	2.4757
C2	1.5673		2.4791	1.2645	1.4070	2.2798	2.0004
O3	1.2795	2.4791		3.6218	2.8115	2.1056	2.2999
O4	2.4888	1.2645	3.6218		2.3469	2.7323	3.1618
O5	2.5030	1.4070	2.8115	2.3469		3.4824	0.9943
H6	1.1094	2.2798	2.1056	2.7323	3.4824		3.5724
H7	2.4757	2.0004	2.2999	3.1618	0.9943	3.5724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.660	C1	C2	O5	114.504
C2	C1	O3	120.783	C2	C1	H6	115.744
C2	O5	H7	111.677	O3	C1	H6	123.473
O4	C2	O5	122.836

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

using model chemistry: MP2/CEP-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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