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	hartrees
Energy at 0K	-300.250470
Energy at 298.15K	-300.253747
HF Energy	-299.775559
Nuclear repulsion energy	161.917763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3639	3386	75.54
2	A'	3175	2955	29.58
3	A'	1911	1778	120.57
4	A'	1779	1655	48.41
5	A'	1422	1323	25.81
6	A'	1376	1280	384.14
7	A'	1239	1153	2.40
8	A'	873	812	53.27
9	A'	704	655	15.58
10	A'	520	484	4.19
11	A'	298	277	37.06
12	A"	1078	1003	7.62
13	A"	665	619	103.44
14	A"	608	566	89.90
15	A"	227	211	20.93

Atom	x (Å)	y (Å)
C1	-0.779	-0.729
C2	0.000	0.584
O3	-0.184	-1.802
O4	-0.538	1.670
O5	1.346	0.389
H6	-1.862	-0.615
H7	1.541	-0.577

	C1	C2	O3	O4	O5	H6	H7
C1		1.5264	1.2271	2.4105	2.4011	1.0883	2.3256
C2	1.5264		2.3927	1.2117	1.3601	2.2141	1.9298
O3	1.2271	2.3927		3.4894	2.6719	2.0550	2.1157
O4	2.4105	1.2117	3.4894		2.2781	2.6404	3.0614
O5	2.4011	1.3601	2.6719	2.2781		3.3609	0.9855
H6	1.0883	2.2141	2.0550	2.6404	3.3609		3.4032
H7	2.3256	1.9298	2.1157	3.0614	0.9855	3.4032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.958	C1	C2	O5	112.444
C2	C1	O3	120.287	C2	C1	H6	114.689
C2	O5	H7	109.688	O3	C1	H6	125.023
O4	C2	O5	124.598

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

using model chemistry: CID/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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