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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	¹A^'
1	2	no	CS	¹A^'

	hartrees
Energy at 0K	-189.246737
Energy at 298.15K	-189.249473
HF Energy	-188.759861
Nuclear repulsion energy	70.018130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3528	57.93
2	A'	3145	2977	43.68
3	A'	1906	1804	317.33
4	A'	1453	1375	6.95
5	A'	1364	1291	11.68
6	A'	1182	1119	266.26
7	A'	642	607	54.70
8	A"	1078	1021	0.58
9	A"	697	659	174.13

Atom	x (Å)	y (Å)
C1	0.000	0.418
O2	-1.034	-0.440
O3	1.165	0.113
H4	-0.379	1.451
H5	-0.666	-1.343

	C1	O2	O3	H4	H5
C1		1.3442	1.2042	1.1001	1.8825
O2	1.3442		2.2680	2.0017	0.9748
O3	1.2042	2.2680		2.0427	2.3391
H4	1.1001	2.0017	2.0427		2.8084
H5	1.8825	0.9748	2.3391	2.8084

All results from a given calculation for HCOOH (Formic acid)

using model chemistry: CCD/6-31G*

States and conformations

Conformer 1 (CS)

Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	hartrees
Energy at 0K	-189.237625
Energy at 298.15K
HF Energy	-188.750038
Nuclear repulsion energy	69.768752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3784	3582	59.69
2	A'	3047	2884	79.37
3	A'	1946	1842	253.27
4	A'	1481	1402	2.50
5	A'	1338	1266	346.53
6	A'	1164	1102	42.64
7	A'	669	634	10.84
8	A"	1061	1005	1.26
9	A"	507	480	108.34

Atom	x (Å)	y (Å)
C1	0.000	0.386
O2	-0.901	-0.624
O3	1.183	0.193
H4	-0.454	1.393
H5	-1.800	-0.257

	C1	O2	O3	H4	H5
C1		1.3535	1.1984	1.1053	1.9116
O2	1.3535		2.2383	2.0666	0.9718
O3	1.1984	2.2383		2.0300	3.0168
H4	1.1053	2.0666	2.0300		2.1293
H5	1.9116	0.9718	3.0168	2.1293

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	107.469		O2	C1	O3	125.645
O2	C1	H4	109.549		O3	C1	H4	124.807

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.488		O2	C1	O3	122.471
O2	C1	H4	113.999		O3	C1	H4	123.530