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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	¹A^'
1	2	no	CS	¹A^'

	hartrees
Energy at 0K	-189.280048
Energy at 298.15K	-189.282762
HF Energy	-188.757714
Nuclear repulsion energy	69.520540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3657	3517
2	A'	3106	2986
3	A'	1808	1739
4	A'	1421	1366
5	A'	1332	1281
6	A'	1139	1095
7	A'	618	595
8	A"	1046	1006
9	A"	706	679

Atom	x (Å)	y (Å)
C1	0.000	0.425
O2	-1.044	-0.438
O3	1.173	0.105
H4	-0.380	1.458
H5	-0.652	-1.338

	C1	O2	O3	H4	H5
C1		1.3550	1.2163	1.1006	1.8798
O2	1.3550		2.2832	2.0094	0.9813
O3	1.2163	2.2832		2.0600	2.3269
H4	1.1006	2.0094	2.0600		2.8092
H5	1.8798	0.9813	2.3269	2.8092

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

using model chemistry: MP4=FULL/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	-189.270861
Energy at 298.15K
HF Energy	-188.747990
Nuclear repulsion energy	69.296826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3714	3572
2	A'	2995	2880
3	A'	1850	1779
4	A'	1445	1389
5	A'	1306	1256
6	A'	1129	1085
7	A'	646	621
8	A"	1029	990
9	A"	526	506

Atom	x (Å)	y (Å)
C1	0.000	0.388
O2	-0.910	-0.624
O3	1.193	0.189
H4	-0.458	1.397
H5	-1.808	-0.242

	C1	O2	O3	H4	H5
C1		1.3609	1.2097	1.1089	1.9142
O2	1.3609		2.2552	2.0716	0.9759
O3	1.2097	2.2552		2.0462	3.0319
H4	1.1089	2.0716	2.0462		2.1232
H5	1.9142	0.9759	3.0319	2.1232

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	106.036		O2	C1	O3	125.154
O2	C1	H4	109.391		O3	C1	H4	125.455

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.878		O2	C1	O3	122.525
O2	C1	H4	113.633		O3	C1	H4	123.842