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	hartrees
Energy at 0K	-301.616622
Energy at 298.15K	-301.619827
HF Energy	-301.616622
Nuclear repulsion energy	164.465588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3358	3326	102.78
2	A'	2922	2893	45.73
3	A'	1855	1837	192.49
4	A'	1782	1765	71.51
5	A'	1385	1372	357.09
6	A'	1285	1273	8.45
7	A'	1202	1190	11.72
8	A'	893	884	41.70
9	A'	690	683	11.84
10	A'	492	487	3.60
11	A'	306	303	42.41
12	A"	971	962	4.45
13	A"	779	772	105.01
14	A"	569	564	16.26
15	A"	186	184	22.44

Atom	x (Å)	y (Å)
C1	-0.749	-0.733
C2	0.000	0.586
O3	-0.133	-1.771
O4	-0.559	1.648
O5	1.308	0.391
H6	-1.862	-0.672
H7	1.431	-0.596

	C1	C2	O3	O4	O5	H6	H7
C1		1.5173	1.2067	2.3888	2.3440	1.1147	2.1849
C2	1.5173		2.3610	1.1998	1.3223	2.2476	1.8568
O3	1.2067	2.3610		3.4454	2.5983	2.0482	1.9567
O4	2.3888	1.1998	3.4454		2.2503	2.6615	2.9997
O5	2.3440	1.3223	2.5983	2.2503		3.3435	0.9950
H6	1.1147	2.2476	2.0482	2.6615	3.3435		3.2944
H7	2.1849	1.8568	1.9567	2.9997	0.9950	3.2944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.663	C1	C2	O5	111.092
C2	C1	O3	119.735	C2	C1	H6	116.459
C2	O5	H7	105.633	O3	C1	H6	123.806
O4	C2	O5	126.245

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

using model chemistry: SVWN/6-311G*

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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Number	Element	Mulliken
1	C	-0.044
2	C	0.313
3	O	-0.235
4	O	-0.256
5	O	-0.427
6	H	0.238
7	H	0.412

	x	y	z	Total
	-0.450	-2.074	0.000	2.122
CHELPG
AIM
ESP

	x	y	z
x	5.038	-0.657	0.000
y	-0.657	5.444	0.000
z	0.000	0.000	2.304

<r²>	97.637
(<r²>)^1/2	9.881