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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	-189.550235
Energy at 298.15K	-189.552959
HF Energy	-188.840432
Nuclear repulsion energy	70.109277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3759	3619
2	A'	3095	2981
3	A'	1795	1728
4	A'	1416	1363
5	A'	1317	1268
6	A'	1125	1083
7	A'	625	602
8	A"	1066	1027
9	A"	687	662

Atom	x (Å)	y (Å)
C1	0.000	0.422
O2	-1.035	-0.440
O3	1.163	0.109
H4	-0.377	1.445
H5	-0.645	-1.326

	C1	O2	O3	H4	H5
C1		1.3467	1.2043	1.0902	1.8634
O2	1.3467		2.2656	1.9963	0.9687
O3	1.2043	2.2656		2.0383	2.3086
H4	1.0902	1.9963	2.0383		2.7842
H5	1.8634	0.9687	2.3086	2.7842

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

using model chemistry: MP4=FULL/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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	hartrees
Energy at 0K	-189.543175
Energy at 298.15K
HF Energy	-188.832534
Nuclear repulsion energy	69.891323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3827	3685
2	A'	3008	2896
3	A'	1836	1768
4	A'	1430	1377
5	A'	1286	1239
6	A'	1119	1078
7	A'	657	633
8	A"	1044	1005
9	A"	530	511

Atom	x (Å)	y (Å)
C1	0.000	0.384
O2	-0.902	-0.624
O3	1.183	0.194
H4	-0.462	1.379
H5	-1.785	-0.240

	C1	O2	O3	H4	H5
C1		1.3530	1.1978	1.0966	1.8907
O2	1.3530		2.2392	2.0507	0.9632
O3	1.1978	2.2392		2.0272	2.9989
H4	1.0966	2.0507	2.0272		2.0900
H5	1.8907	0.9632	2.9989	2.0900

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	106.020		O2	C1	O3	125.181
O2	C1	H4	109.556		O3	C1	H4	125.263

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.253		O2	C1	O3	122.646
O2	C1	H4	113.272		O3	C1	H4	124.082