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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'	3737	3737	67.55	73.44	0.16	0.27
2	A'	3090	3090	36.26	116.53	0.24	0.39
3	A'	1798	1798	353.33	15.85	0.09	0.17
4	A'	1407	1407	1.93	4.99	0.57	0.73
5	A'	1304	1304	9.84	2.35	0.20	0.34
6	A'	1126	1126	262.01	3.03	0.21	0.34
7	A'	629	629	41.15	3.39	0.31	0.47
8	A"	1060	1060	2.40	0.99	0.75	0.86
9	A"	680	680	136.14	0.38	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	-1.030	-0.442
O3	1.160	0.113
H4	-0.379	1.446
H5	-0.657	-1.336

	C1	O2	O3	H4	H5
C1		1.3443	1.2000	1.0922	1.8763
O2	1.3443		2.2593	1.9974	0.9690
O3	1.2000	2.2593		2.0355	2.3238
H4	1.0922	1.9974	2.0355		2.7960
H5	1.8763	0.9690	2.3238	2.7960

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	107.294		O2	C1	O3	125.139
O2	C1	H4	109.688		O3	C1	H4	125.173

	hartrees
Energy at 0K	-189.727677
Energy at 298.15K
HF Energy	-189.502344
Nuclear repulsion energy	70.026590

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

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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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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'	3802	3802	65.29	103.52	0.19	0.31
2	A'	3002	3002	68.32	117.48	0.24	0.38
3	A'	1842	1842	290.60	18.25	0.15	0.26
4	A'	1416	1416	0.25	4.46	0.52	0.68
5	A'	1276	1276	306.93	1.29	0.65	0.79
6	A'	1109	1109	57.41	9.98	0.30	0.46
7	A'	659	659	9.75	0.61	0.44	0.62
8	A"	1038	1038	0.03	1.17	0.75	0.86
9	A"	533	533	83.15	0.57	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.386
O2	-0.896	-0.625
O3	1.178	0.196
H4	-0.463	1.382
H5	-1.791	-0.266

	C1	O2	O3	H4	H5
C1		1.3512	1.1932	1.0987	1.9058
O2	1.3512		2.2311	2.0536	0.9638
O3	1.1932	2.2311		2.0248	3.0046
H4	1.0987	2.0536	2.0248		2.1166
H5	1.9058	0.9638	3.0046	2.1166