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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	-189.360713
Energy at 298.15K	-189.363403
HF Energy	-188.793637
Nuclear repulsion energy	69.217089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3655	3571
2	A'	3107	3035
3	A'	1804	1762
4	A'	1419	1387
5	A'	1332	1301
6	A'	1137	1111
7	A'	617	603
8	A"	1044	1020
9	A"	705	689

Atom	x (Å)	y (Å)
C1	0.000	0.428
O2	-1.048	-0.447
O3	1.178	0.111
H4	-0.385	1.465
H5	-0.658	-1.342

	C1	O2	O3	H4	H5
C1		1.3648	1.2198	1.1069	1.8875
O2	1.3648		2.2947	2.0242	0.9758
O3	1.2198	2.2947		2.0681	2.3411
H4	1.1069	2.0242	2.0681		2.8203
H5	1.8875	0.9758	2.3411	2.8203

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

using model chemistry: MP4/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	-189.354079
Energy at 298.15K
HF Energy	-188.785943
Nuclear repulsion energy	69.018721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3713	3627
2	A'	2995	2926
3	A'	1845	1803
4	A'	1444	1411
5	A'	1306	1276
6	A'	1127	1101
7	A'	645	630
8	A"	1027	1003
9	A"	525	513

Atom	x (Å)	y (Å)
C1	0.000	0.393
O2	-0.912	-0.631
O3	1.196	0.192
H4	-0.466	1.405
H5	-1.806	-0.251

	C1	O2	O3	H4	H5
C1		1.3717	1.2131	1.1134	1.9173
O2	1.3717		2.2633	2.0841	0.9712
O3	1.2131	2.2633		2.0575	3.0345
H4	1.1134	2.0841	2.0575		2.1299
H5	1.9173	0.9712	3.0345	2.1299

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	106.301		O2	C1	O3	125.109
O2	C1	H4	109.511		O3	C1	H4	125.380

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.632		O2	C1	O3	122.118
O2	C1	H4	113.587		O3	C1	H4	124.295