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	hartrees
Energy at 0K	-60.023358
Energy at 298.15K	-60.026433
HF Energy	-59.224808
Nuclear repulsion energy	86.584301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3642	3470	100.31
2	A'	3096	2949	33.98
3	A'	1796	1711	154.56
4	A'	1697	1617	77.61
5	A'	1401	1335	352.47
6	A'	1355	1291	23.12
7	A'	1220	1163	3.28
8	A'	882	841	56.38
9	A'	674	642	14.61
10	A'	494	471	5.54
11	A'	286	272	31.81
12	A"	975	929	3.36
13	A"	675	643	95.26
14	A"	541	516	41.75
15	A"	161	153	26.52

Atom	x (Å)	y (Å)
C1	-0.763	-0.756
C2	0.000	0.587
O3	-0.152	-1.826
O4	-0.580	1.662
O5	1.346	0.442
H6	-1.862	-0.680
H7	1.523	-0.525

	C1	C2	O3	O4	O5	H6	H7
C1		1.5444	1.2320	2.4247	2.4259	1.1014	2.2974
C2	1.5444		2.4173	1.2213	1.3541	2.2522	1.8855
O3	1.2320	2.4173		3.5136	2.7181	2.0581	2.1204
O4	2.4247	1.2213	3.5136		2.2797	2.6702	3.0335
O5	2.4259	1.3541	2.7181	2.2797		3.3990	0.9832
H6	1.1014	2.2522	2.0581	2.6702	3.3990		3.3882
H7	2.2974	1.8855	2.1204	3.0335	0.9832	3.3882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.061	C1	C2	O5	113.474
C2	C1	O3	120.655	C2	C1	H6	115.673
C2	O5	H7	106.466	O3	C1	H6	123.672
O4	C2	O5	124.465

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

using model chemistry: MP2/CEP-121G*

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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