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	hartrees
Energy at 0K	-186.905698
Energy at 298.15K
HF Energy	-186.841974
Nuclear repulsion energy	67.339294

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'	3771	3771	19.40	48.53	0.29	0.46
2	A'	3311	3311	10.59	47.52	0.37	0.55
3	A'	1855	1855	88.69	2.37	0.12	0.21
4	A'	1500	1500	0.17	14.21	0.73	0.85
5	A'	1420	1420	8.79	4.25	0.18	0.31
6	A'	1136	1136	89.43	2.15	0.12	0.22
7	A'	560	560	29.21	3.55	0.60	0.75
8	A"	984	984	8.54	0.18	0.75	0.86
9	A"	664	664	74.02	4.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.450
O2	-1.078	-0.464
O3	1.205	0.111
H4	-0.417	1.489
H5	-0.595	-1.367

	C1	O2	O3	H4	H5
C1		1.4133	1.2513	1.1193	1.9116
O2	1.4133		2.3538	2.0617	1.0238
O3	1.2513	2.3538		2.1277	2.3285
H4	1.1193	2.0617	2.1277		2.8610
H5	1.9116	1.0238	2.3285	2.8610

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	102.143		O2	C1	O3	123.994
O2	C1	H4	108.428		O3	C1	H4	127.578

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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	-186.897807
Energy at 298.15K
HF Energy	-186.834786
Nuclear repulsion energy	67.003173

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'	3806	3806	17.40	59.98	0.30	0.46
2	A'	3208	3208	29.64	36.71	0.40	0.57
3	A'	1888	1888	71.31	1.45	0.20	0.33
4	A'	1467	1467	4.78	8.50	0.63	0.77
5	A'	1419	1419	108.88	11.85	0.62	0.77
6	A'	1154	1154	48.23	7.12	0.21	0.35
7	A'	596	596	6.96	0.89	0.67	0.80
8	A"	930	930	0.06	0.69	0.75	0.86
9	A"	482	482	49.40	4.92	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.409
O2	-0.938	-0.658
O3	1.229	0.196
H4	-0.488	1.424
H5	-1.840	-0.183

	C1	O2	O3	H4	H5
C1		1.4209	1.2474	1.1264	1.9333
O2	1.4209		2.3291	2.1305	1.0201
O3	1.2474	2.3291		2.1115	3.0928
H4	1.1264	2.1305	2.1115		2.1003
H5	1.9333	1.0201	3.0928	2.1003