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	hartrees
Energy at 0K	-188.198410
Energy at 298.15K	-188.199714
HF Energy	-188.198410
Nuclear repulsion energy	63.400886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3182	39.48
2	A'	1987	1987	432.53
3	A'	1510	1510	14.30
4	A'	1171	1171	146.14
5	A'	645	645	53.42
6	A"	1144	1144	2.85

Atom	x (Å)	y (Å)
C1	0.000	0.361
H2	-0.316	1.406
O3	1.105	-0.026
O4	-1.066	-0.421

	C1	H2	O3	O4
C1		1.0914	1.1711	1.3219
H2	1.0914		2.0174	1.9741
O3	1.1711	2.0174		2.2071
O4	1.3219	1.9741	2.2071

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	O3	126.127		H2	C1	O4	109.403
O3	C1	O4	124.470

All results from a given calculation for HCOO (formate neutral radical)

using model chemistry: ROHF/TZVP

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	0.390
2	H	0.082
3	O	-0.391
4	O	-0.081

	x	y	z	Total
	-1.777	1.880	0.000	2.587
CHELPG
AIM
ESP

<r²>	33.765
(<r²>)^1/2	5.811