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	hartrees
Energy at 0K	-266.141178
Energy at 298.15K	-266.146094
HF Energy	-266.141178
Nuclear repulsion energy	124.402812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3986	3797	112.32
2	A	3762	3584	191.09
3	A	3446	3282	643.31
4	A	3119	2971	68.64
5	A	1824	1738	397.09
6	A	1625	1548	149.60
7	A	1464	1394	2.37
8	A	1409	1342	23.52
9	A	1258	1199	237.83
10	A	1068	1017	11.60
11	A	944	899	166.72
12	A	706	672	52.22
13	A	597	569	192.51
14	A	378	360	95.61
15	A	277	264	124.56
16	A	236	224	23.32
17	A	190	181	25.37
18	A	174	166	21.08

Atom	x (Å)	y (Å)	z (Å)
H1	0.382	0.975	0.008
O2	-0.595	1.126	0.007
O3	1.869	0.025	-0.081
C4	-1.193	-0.054	0.005
O5	-0.627	-1.128	0.011
H6	-2.284	0.054	0.001
H7	2.540	-0.099	0.594
H8	1.345	-0.792	-0.130

	H1	O2	O3	C4	O5	H6	H7	H8
H1		0.9886	1.7661	1.8811	2.3329	2.8209	2.4802	2.0165
O2	0.9886		2.6996	1.3224	2.2545	2.0007	3.4161	2.7310
O3	1.7661	2.6996		3.0638	2.7512	4.1537	0.9599	0.9714
C4	1.8811	1.3224	3.0638		1.2146	1.0965	3.7791	2.6466
O5	2.3329	2.2545	2.7512	1.2146		2.0354	3.3810	2.0059
H6	2.8209	2.0007	4.1537	1.0965	2.0354		4.8626	3.7286
H7	2.4802	3.4161	0.9599	3.7791	3.3810	4.8626		1.5593
H8	2.0165	2.7310	0.9714	2.6466	2.0059	3.7286	1.5593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	108.102	H1	O3	H7	128.501
H1	O3	H8	90.056	O2	H1	O3	156.048
O2	C4	O5	125.356	O2	C4	H6	111.266
O5	C4	H6	123.378	H7	O3	H8	107.677

All results from a given calculation for HCOOHH₂O (Formic acid water dimer)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	H	0.435
2	O	-0.449
3	O	-0.788
4	C	0.368
5	O	-0.508
6	H	0.146
7	H	0.387
8	H	0.409

	x	y	z	Total
	0.765	0.180	1.318	1.534
CHELPG
AIM
ESP

	x	y	z
x	4.853	-0.188	0.079
y	-0.188	4.618	0.026
z	0.079	0.026	2.877

<r²>	93.804
(<r²>)^1/2	9.685

All results from a given calculation for HCOOHH2O (Formic acid water dimer)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for HCOOHH₂O (Formic acid water dimer)