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	hartrees
Energy at 0K	-189.731061
Energy at 298.15K
HF Energy	-189.504879
Nuclear repulsion energy	70.307973

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	68.58	68.66	0.18	0.30
2	A'	3094	3094	36.25	113.03	0.25	0.40
3	A'	1806	1806	355.76	13.78	0.13	0.23
4	A'	1412	1412	2.01	5.15	0.56	0.72
5	A'	1304	1304	10.59	1.95	0.22	0.36
6	A'	1130	1130	261.36	2.95	0.19	0.33
7	A'	630	630	42.34	3.39	0.34	0.51
8	A"	1058	1058	2.17	0.92	0.75	0.86
9	A"	682	682	139.37	0.46	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	-1.029	-0.441
O3	1.158	0.112
H4	-0.377	1.447
H5	-0.657	-1.335

	C1	O2	O3	H4	H5
C1		1.3424	1.1987	1.0930	1.8749
O2	1.3424		2.2561	1.9974	0.9679
O3	1.1987	2.2561		2.0345	2.3217
H4	1.0930	1.9974	2.0345		2.7959
H5	1.8749	0.9679	2.3217	2.7959

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	107.382		O2	C1	O3	125.110
O2	C1	H4	109.777		O3	C1	H4	125.114

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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	-189.724395
Energy at 298.15K
HF Energy	-189.497946
Nuclear repulsion energy	70.104084

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'	3829	3829	67.31	98.97	0.21	0.34
2	A'	3005	3005	69.04	109.95	0.25	0.39
3	A'	1850	1850	291.48	16.94	0.18	0.30
4	A'	1424	1424	0.23	4.44	0.51	0.68
5	A'	1277	1277	313.97	1.51	0.74	0.85
6	A'	1112	1112	50.14	9.19	0.33	0.49
7	A'	661	661	9.83	0.73	0.44	0.61
8	A"	1039	1039	0.00	1.19	0.75	0.86
9	A"	536	536	85.80	0.58	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.385
O2	-0.895	-0.624
O3	1.177	0.196
H4	-0.463	1.383
H5	-1.790	-0.268

	C1	O2	O3	H4	H5
C1		1.3490	1.1919	1.0996	1.9051
O2	1.3490		2.2282	2.0527	0.9629
O3	1.1919	2.2282		2.0241	3.0025
H4	1.0996	2.0527	2.0241		2.1176
H5	1.9051	0.9629	3.0025	2.1176