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	hartrees
Energy at 0K	-300.321569
Energy at 298.15K	-300.324768
HF Energy	-299.772075
Nuclear repulsion energy	160.607904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3511	3359	52.37
2	A'	3078	2944	33.98
3	A'	1841	1761	81.12
4	A'	1684	1611	20.52
5	A'	1385	1324	28.03
6	A'	1355	1296	335.79
7	A'	1198	1146	13.46
8	A'	839	803	50.82
9	A'	685	655	13.05
10	A'	504	482	3.40
11	A'	292	280	33.30
12	A"	1029	984	7.35
13	A"	651	623	104.88
14	A"	584	559	70.54
15	A"	225	215	16.49

Atom	x (Å)	y (Å)
C1	-0.788	-0.728
C2	0.000	0.588
O3	-0.192	-1.817
O4	-0.532	1.687
O5	1.359	0.385
H6	-1.878	-0.611
H7	1.530	-0.595

	C1	C2	O3	O4	O5	H6	H7
C1		1.5340	1.2407	2.4292	2.4188	1.0960	2.3224
C2	1.5340		2.4119	1.2217	1.3741	2.2277	1.9338
O3	1.2407	2.4119		3.5204	2.6934	2.0724	2.1121
O4	2.4292	1.2217	3.5204		2.2962	2.6632	3.0759
O5	2.4188	1.3741	2.6934	2.2962		3.3867	0.9946
H6	1.0960	2.2277	2.0724	2.6632	3.3867		3.4083
H7	2.3224	1.9338	2.1121	3.0759	0.9946	3.4083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.261	C1	C2	O5	112.442
C2	C1	O3	120.379	C2	C1	H6	114.764
C2	O5	H7	108.394	O3	C1	H6	124.857
O4	C2	O5	124.297

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

using model chemistry: CCD/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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