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	hartrees
Energy at 0K	-300.335278
Energy at 298.15K	-300.338506
HF Energy	-299.767907
Nuclear repulsion energy	159.942617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3426	3271	69.61
2	A'	3104	2964	40.33
3	A'	1744	1665	63.85
4	A'	1570	1499	13.04
5	A'	1381	1319	21.21
6	A'	1341	1280	336.93
7	A'	1169	1116	11.35
8	A'	833	795	52.14
9	A'	677	646	11.22
10	A'	491	468	2.15
11	A'	295	282	34.85
12	A"	1040	993	5.80
13	A"	707	675	128.37
14	A"	589	563	33.31
15	A"	230	220	16.06

Atom	x (Å)	y (Å)
C1	-0.792	-0.720
C2	0.000	0.593
O3	-0.191	-1.822
O4	-0.524	1.711
O5	1.358	0.361
H6	-1.880	-0.602
H7	1.489	-0.631

	C1	C2	O3	O4	O5	H6	H7
C1		1.5339	1.2552	2.4460	2.4070	1.0938	2.2833
C2	1.5339		2.4231	1.2345	1.3780	2.2273	1.9279
O3	1.2552	2.4231		3.5489	2.6773	2.0832	2.0601
O4	2.4460	1.2345	3.5489		2.3163	2.6808	3.0883
O5	2.4070	1.3780	2.6773	2.3163		3.3780	1.0005
H6	1.0938	2.2273	2.0832	2.6808	3.3780		3.3691
H7	2.2833	1.9279	2.0601	3.0883	1.0005	3.3691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.791	C1	C2	O5	111.394
C2	C1	O3	120.303	C2	C1	H6	114.878
C2	O5	H7	107.229	O3	C1	H6	124.819
O4	C2	O5	124.815

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

using model chemistry: MP2=FULL/3-21G

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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