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	hartrees
Energy at 0K	-302.273597
Energy at 298.15K	-302.276750
HF Energy	-301.474572
Nuclear repulsion energy	162.439750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3654	3480	94.67
2	A'	3086	2939	34.13
3	A'	1904	1813	143.95
4	A'	1803	1717	105.25
5	A'	1438	1369	358.57
6	A'	1374	1309	14.70
7	A'	1262	1201	8.67
8	A'	906	862	50.59
9	A'	690	657	17.19
10	A'	511	487	5.80
11	A'	299	285	33.44
12	A"	995	947	3.64
13	A"	682	650	96.12
14	A"	565	538	46.07
15	A"	173	164	26.53

Atom	x (Å)	y (Å)
C1	-0.755	-0.750
C2	0.000	0.582
O3	-0.147	-1.807
O4	-0.581	1.642
O5	1.335	0.441
H6	-1.854	-0.676
H7	1.527	-0.521

	C1	C2	O3	O4	O5	H6	H7
C1		1.5313	1.2191	2.3988	2.4055	1.1022	2.2928
C2	1.5313		2.3939	1.2086	1.3423	2.2409	1.8831
O3	1.2191	2.3939		3.4765	2.6931	2.0481	2.1112
O4	2.3988	1.2086	3.4765		2.2607	2.6450	3.0195
O5	2.4055	1.3423	2.6931	2.2607		3.3793	0.9808
H6	1.1022	2.2409	2.0481	2.6450	3.3793		3.3846
H7	2.2928	1.8831	2.1112	3.0195	0.9808	3.3846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.760	C1	C2	O5	113.511
C2	C1	O3	120.582	C2	C1	H6	115.660
C2	O5	H7	107.289	O3	C1	H6	123.758
O4	C2	O5	124.729

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

using model chemistry: QCISD/6-31G*

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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