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	hartrees
Energy at 0K	-302.440986
Energy at 298.15K	-302.444115
HF Energy	-301.588448
Nuclear repulsion energy	163.440232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3808	3610	103.60
2	A'	3097	2936	29.93
3	A'	1920	1820	191.74
4	A'	1841	1746	106.98
5	A'	1417	1343	285.85
6	A'	1402	1329	71.17
7	A'	1247	1182	3.50
8	A'	905	858	53.05
9	A'	700	663	17.45
10	A'	521	494	6.62
11	A'	286	272	31.45
12	A"	1004	952	2.77
13	A"	639	605	49.08
14	A"	552	523	88.21
15	A"	159	151	26.74

Atom	x (Å)	y (Å)
C1	-0.748	-0.758
C2	0.000	0.579
O3	-0.149	-1.802
O4	-0.582	1.623
O5	1.329	0.460
H6	-1.842	-0.682
H7	1.537	-0.485

	C1	C2	O3	O4	O5	H6	H7
C1		1.5322	1.2032	2.3866	2.4077	1.0966	2.3012
C2	1.5322		2.3859	1.1945	1.3348	2.2319	1.8698
O3	1.2032	2.3859		3.4518	2.7022	2.0295	2.1399
O4	2.3866	1.1945	3.4518		2.2369	2.6264	2.9886
O5	2.4077	1.3348	2.7022	2.2369		3.3701	0.9674
H6	1.0966	2.2319	2.0295	2.6264	3.3701		3.3846
H7	2.3012	1.8698	2.1399	2.9886	0.9674	3.3846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.664	C1	C2	O5	114.066
C2	C1	O3	120.973	C2	C1	H6	115.205
C2	O5	H7	107.552	O3	C1	H6	123.823
O4	C2	O5	124.270

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

using model chemistry: CCD/TZVP

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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