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	hartrees
Energy at 0K	-302.312734
Energy at 298.15K	-302.315837
HF Energy	-301.492808
Nuclear repulsion energy	162.248115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3774	3568	103.53
2	A'	3125	2955	27.62
3	A'	1872	1770	170.68
4	A'	1791	1693	142.15
5	A'	1406	1329	312.01
6	A'	1381	1305	30.37
7	A'	1243	1175	9.70
8	A'	899	850	55.19
9	A'	683	646	16.11
10	A'	510	482	6.74
11	A'	288	273	32.05
12	A"	994	939	4.04
13	A"	653	617	77.31
14	A"	557	526	62.92
15	A"	157	149	30.17

Atom	x (Å)	y (Å)
C1	-0.754	-0.756
C2	0.000	0.578
O3	-0.147	-1.813
O4	-0.588	1.636
O5	1.337	0.457
H6	-1.848	-0.681
H7	1.556	-0.491

	C1	C2	O3	O4	O5	H6	H7
C1		1.5325	1.2194	2.3976	2.4175	1.0964	2.3248
C2	1.5325		2.3963	1.2104	1.3430	2.2364	1.8879
O3	1.2194	2.3963		3.4776	2.7124	2.0430	2.1558
O4	2.3976	1.2104	3.4776		2.2584	2.6375	3.0204
O5	2.4175	1.3430	2.7124	2.2584		3.3825	0.9727
H6	1.0964	2.2364	2.0430	2.6375	3.3825		3.4088
H7	2.3248	1.8879	2.1558	3.0204	0.9727	3.4088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.439	C1	C2	O5	114.272
C2	C1	O3	120.680	C2	C1	H6	115.580
C2	O5	H7	108.165	O3	C1	H6	123.740
O4	C2	O5	124.290

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

using model chemistry: QCISD/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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