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	hartrees
Energy at 0K	-189.610850
Energy at 298.15K
HF Energy	-189.440271
Nuclear repulsion energy	69.855498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3763	3763	68.33	69.70	0.19	0.32
2	A'	3141	3141	36.27	117.18	0.29	0.44
3	A'	1806	1806	373.82	12.36	0.16	0.28
4	A'	1416	1416	1.99	7.37	0.59	0.75
5	A'	1300	1300	15.36	1.74	0.27	0.43
6	A'	1135	1135	268.19	3.37	0.18	0.30
7	A'	622	622	45.99	3.82	0.50	0.66
8	A"	1055	1055	3.07	1.86	0.75	0.86
9	A"	685	685	163.15	0.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.424
O2	-1.037	-0.438
O3	1.168	0.106
H4	-0.373	1.452
H5	-0.669	-1.338

	C1	O2	O3	H4	H5
C1		1.3490	1.2100	1.0940	1.8852
O2	1.3490		2.2710	2.0040	0.9725
O3	1.2100	2.2710		2.0461	2.3365
H4	1.0940	2.0040	2.0461		2.8065
H5	1.8852	0.9725	2.3365	2.8065

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	107.489		O2	C1	O3	125.020
O2	C1	H4	109.791		O3	C1	H4	125.189

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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	-189.602937
Energy at 298.15K
HF Energy	-189.432052
Nuclear repulsion energy	69.652007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3822	3822	64.70	105.12	0.22	0.37
2	A'	3045	3045	75.74	116.55	0.28	0.44
3	A'	1850	1850	302.15	16.89	0.20	0.33
4	A'	1438	1438	0.39	5.77	0.60	0.75
5	A'	1275	1275	334.10	2.38	0.66	0.79
6	A'	1114	1114	43.55	9.07	0.39	0.56
7	A'	652	652	10.42	1.22	0.63	0.77
8	A"	1036	1036	0.00	2.19	0.75	0.86
9	A"	529	529	105.27	0.52	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.388
O2	-0.905	-0.621
O3	1.187	0.189
H4	-0.454	1.391
H5	-1.803	-0.262

	C1	O2	O3	H4	H5
C1		1.3554	1.2031	1.1008	1.9163
O2	1.3554		2.2429	2.0622	0.9676
O3	1.2031	2.2429		2.0334	3.0233
H4	1.1008	2.0622	2.0334		2.1332
H5	1.9163	0.9676	3.0233	2.1332