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	hartrees
Energy at 0K	-302.315956
Energy at 298.15K	-302.319076
HF Energy	-301.491090
Nuclear repulsion energy	162.169493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3495	118.82
2	A'	3139	2948	26.12
3	A'	1821	1710	174.48
4	A'	1733	1628	71.22
5	A'	1393	1308	278.45
6	A'	1377	1293	54.38
7	A'	1226	1152	15.27
8	A'	900	845	58.12
9	A'	680	639	13.33
10	A'	505	475	5.96
11	A'	287	270	32.56
12	A"	999	938	4.08
13	A"	674	633	86.19
14	A"	560	526	48.34
15	A"	165	155	28.83

Atom	x (Å)	y (Å)
C1	-0.754	-0.748
C2	0.000	0.577
O3	-0.148	-1.814
O4	-0.585	1.644
O5	1.336	0.446
H6	-1.846	-0.674
H7	1.537	-0.509

	C1	C2	O3	O4	O5	H6	H7
C1		1.5246	1.2258	2.3979	2.4069	1.0952	2.3031
C2	1.5246		2.3952	1.2165	1.3427	2.2303	1.8823
O3	1.2258	2.3952		3.4849	2.7029	2.0458	2.1304
O4	2.3979	1.2165	3.4849		2.2640	2.6388	3.0230
O5	2.4069	1.3427	2.7029	2.2640		3.3738	0.9760
H6	1.0952	2.2303	2.0458	2.6388	3.3738		3.3874
H7	2.3031	1.8823	2.1304	3.0230	0.9760	3.3874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.642	C1	C2	O5	114.011
C2	C1	O3	120.734	C2	C1	H6	115.739
C2	O5	H7	107.487	O3	C1	H6	123.527
O4	C2	O5	124.346

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

using model chemistry: MP2=FULL/6-31+G**

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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