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	hartrees
Energy at 0K	-189.794332
Energy at 298.15K	-189.797578
HF Energy	-189.188096
Nuclear repulsion energy	75.037985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3805	3576	43.28
2	A	3365	3163	2.41
3	A	3214	3021	7.83
4	A	1469	1381	3.85
5	A	1407	1322	57.56
6	A	1239	1165	33.51
7	A	1186	1114	11.95
8	A	895	841	9.01
9	A	794	746	34.21
10	A	501	471	1.78
11	A	320	301	29.32
12	A	211	199	104.95

Atom	x (Å)	y (Å)	z (Å)
C1	1.124	0.273	0.103
O2	0.073	-0.572	-0.064
O3	-1.126	0.227	-0.083
H4	1.025	1.257	-0.330
H5	2.053	-0.275	0.052
H6	-1.396	0.139	0.840

	C1	O2	O3	H4	H5	H6
C1		1.3592	2.2578	1.0795	1.0794	2.6293
O2	1.3592		1.4399	2.0791	2.0057	1.8657
O3	2.2578	1.4399		2.3977	3.2204	0.9662
H4	1.0795	2.0791	2.3977		1.8836	2.9127
H5	1.0794	2.0057	3.2204	1.8836		3.5619
H6	2.6293	1.8657	0.9662	2.9127	3.5619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.496	O2	C1	H4	116.517
O2	C1	H5	110.142	O2	O3	H6	99.804
H4	C1	H5	121.494

All results from a given calculation for CH₂OOH (CH2OOH radical)

using model chemistry: MP2=FULL/6-31G(2df,p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for CH2OOH (CH2OOH radical)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂OOH (CH2OOH radical)