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	hartrees
Energy at 0K	-189.596994
Energy at 298.15K
HF Energy	-189.429891
Nuclear repulsion energy	69.973972

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'	3772	3772	52.21	70.52	0.28	0.43
2	A'	3126	3126	48.72	100.60	0.28	0.44
3	A'	1841	1841	296.10	6.31	0.22	0.36
4	A'	1430	1430	3.47	9.83	0.61	0.76
5	A'	1329	1329	11.82	1.02	0.35	0.52
6	A'	1148	1148	241.29	2.71	0.18	0.31
7	A'	626	626	50.09	4.31	0.60	0.75
8	A"	1065	1065	1.12	2.17	0.75	0.86
9	A"	708	708	155.93	2.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.423
O2	-1.037	-0.438
O3	1.166	0.106
H4	-0.379	1.450
H5	-0.652	-1.330

	C1	O2	O3	H4	H5
C1		1.3471	1.2078	1.0953	1.8700
O2	1.3471		2.2682	1.9991	0.9717
O3	1.2078	2.2682		2.0476	2.3164
H4	1.0953	1.9991	2.0476		2.7936
H5	1.8700	0.9717	2.3164	2.7936

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	106.379		O2	C1	O3	125.112
O2	C1	H4	109.441		O3	C1	H4	125.446

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

using model chemistry: B2PLYP=FULLultrafine/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	-189.588404
Energy at 298.15K
HF Energy	-189.421171
Nuclear repulsion energy	69.750054

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'	3833	3833	48.72	94.45	0.28	0.44
2	A'	3021	3021	90.46	87.62	0.28	0.44
3	A'	1887	1887	241.16	8.57	0.20	0.33
4	A'	1456	1456	0.80	8.95	0.61	0.76
5	A'	1293	1293	328.40	3.91	0.65	0.78
6	A'	1136	1136	31.37	8.46	0.35	0.52
7	A'	658	658	9.72	1.05	0.72	0.84
8	A"	1050	1050	1.01	2.48	0.75	0.86
9	A"	528	528	96.08	2.44	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.385
O2	-0.903	-0.622
O3	1.185	0.191
H4	-0.460	1.388
H5	-1.796	-0.251

	C1	O2	O3	H4	H5
C1		1.3532	1.2010	1.1029	1.9052
O2	1.3532		2.2412	2.0585	0.9664
O3	1.2010	2.2412		2.0342	3.0135
H4	1.1029	2.0585	2.0342		2.1147
H5	1.9052	0.9664	3.0135	2.1147