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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	-189.368188
Energy at 298.15K	-189.370880
HF Energy	-188.793873
Nuclear repulsion energy	69.266718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3707	3615
2	A'	3095	3018
3	A'	1737	1694
4	A'	1380	1346
5	A'	1289	1257
6	A'	1096	1069
7	A'	609	594
8	A"	1025	1000
9	A"	668	651

Atom	x (Å)	y (Å)
C1	0.000	0.427
O2	-1.047	-0.446
O3	1.177	0.111
H4	-0.384	1.464
H5	-0.658	-1.341

	C1	O2	O3	H4	H5
C1		1.3636	1.2191	1.1061	1.8864
O2	1.3636		2.2931	2.0225	0.9753
O3	1.2191	2.2931		2.0665	2.3400
H4	1.1061	2.0225	2.0665		2.8186
H5	1.8864	0.9753	2.3400	2.8186

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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	-189.361551
Energy at 298.15K
HF Energy	-188.786184
Nuclear repulsion energy	69.068761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3764	3670
2	A'	3007	2932
3	A'	1774	1730
4	A'	1385	1351
5	A'	1270	1238
6	A'	1077	1050
7	A'	632	616
8	A"	1000	976
9	A"	517	504

Atom	x (Å)	y (Å)
C1	0.000	0.393
O2	-0.912	-0.630
O3	1.196	0.191
H4	-0.465	1.404
H5	-1.805	-0.250

	C1	O2	O3	H4	H5
C1		1.3704	1.2124	1.1125	1.9161
O2	1.3704		2.2618	2.0823	0.9707
O3	1.2124	2.2618		2.0558	3.0328
H4	1.1125	2.0823	2.0558		2.1286
H5	1.9161	0.9707	3.0328	2.1286

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	106.334		O2	C1	O3	125.124
O2	C1	H4	109.519		O3	C1	H4	125.357

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.664		O2	C1	O3	122.143
O2	C1	H4	113.592		O3	C1	H4	124.265