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	hartrees
Energy at 0K	-302.596142
Energy at 298.15K	-302.599364
HF Energy	-301.599871
Nuclear repulsion energy	163.888094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3794	3543	108.78
2	A'	3080	2876	29.80
3	A'	1930	1802	188.38
4	A'	1849	1726	110.22
5	A'	1438	1342	334.06
6	A'	1382	1290	22.42
7	A'	1266	1182	9.22
8	A'	916	856	50.66
9	A'	704	658	17.57
10	A'	522	487	6.05
11	A'	290	271	33.56
12	A"	1042	973	3.69
13	A"	675	630	67.77
14	A"	599	559	44.94
15	A"	175	163	26.73

Atom	x (Å)	y (Å)
C1	-0.744	-0.754
C2	0.000	0.580
O3	-0.144	-1.796
O4	-0.582	1.621
O5	1.324	0.452
H6	-1.837	-0.678
H7	1.518	-0.495

	C1	C2	O3	O4	O5	H6	H7
C1		1.5272	1.2017	2.3813	2.3939	1.0958	2.2767
C2	1.5272		2.3798	1.1933	1.3301	2.2265	1.8595
O3	1.2017	2.3798		3.4452	2.6849	2.0281	2.1112
O4	2.3813	1.1933	3.4452		2.2360	2.6202	2.9810
O5	2.3939	1.3301	2.6849	2.2360		3.3571	0.9662
H6	1.0958	2.2265	2.0281	2.6202	3.3571		3.3601
H7	2.2767	1.8595	2.1112	2.9810	0.9662	3.3601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.676	C1	C2	O5	113.643
C2	C1	O3	120.935	C2	C1	H6	115.181
C2	O5	H7	107.085	O3	C1	H6	123.884
O4	C2	O5	124.681

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

using model chemistry: CCD/cc-pVTZ

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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