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	hartrees
Energy at 0K	-301.924062
Energy at 298.15K	-301.927039
HF Energy	-301.369313
Nuclear repulsion energy	157.444774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3574	3450	90.84
2	A'	3111	3003	34.16
3	A'	1646	1588	96.63
4	A'	1532	1479	37.69
5	A'	1354	1307	9.85
6	A'	1268	1224	352.39
7	A'	1156	1116	3.91
8	A'	819	790	81.25
9	A'	645	623	11.51
10	A'	483	466	6.29
11	A'	272	263	31.93
12	A"	972	938	6.72
13	A"	630	608	138.31
14	A"	540	521	67.26
15	A"	171	165	31.49

Atom	x (Å)	y (Å)
C1	-0.796	-0.745
C2	0.000	0.586
O3	-0.199	-1.864
O4	-0.560	1.706
O5	1.386	0.424
H6	-1.894	-0.640
H7	1.647	-0.533

	C1	C2	O3	O4	O5	H6	H7
C1		1.5503	1.2693	2.4623	2.4756	1.1027	2.4524
C2	1.5503		2.4580	1.2527	1.3957	2.2557	1.9907
O3	1.2693	2.4580		3.5889	2.7833	2.0916	2.2757
O4	2.4623	1.2527	3.5889		2.3306	2.6988	3.1436
O5	2.4756	1.3957	2.7833	2.3306		3.4484	0.9913
H6	1.1027	2.2557	2.0916	2.6988	3.4484		3.5425
H7	2.4524	1.9907	2.2757	3.1436	0.9913	3.5425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.558	C1	C2	O5	114.246
C2	C1	O3	120.998	C2	C1	H6	115.440
C2	O5	H7	111.900	O3	C1	H6	123.563
O4	C2	O5	123.197

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

using model chemistry: MP2/SDD

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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