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	hartrees
Energy at 0K	-132.442877
Energy at 298.15K	-132.447606
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	38.888600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3818	3677	54.65
2	A'	3669	3534	10.22
3	A'	3484	3356	6.23
4	A'	3417	3291	477.15
5	A'	1724	1660	31.59
6	A'	1690	1628	121.55
7	A'	1034	995	358.23
8	A'	556	535	137.22
9	A'	244	235	57.30
10	A'	204	197	24.33
11	A"	3673	3538	8.72
12	A"	1726	1662	45.37
13	A"	874	842	281.99
14	A"	237	228	29.28
15	A"	55	53	156.22

Atom	x (Å)	y (Å)	z (Å)
H1	0.039	0.525	0.000
O2	-0.039	1.518	0.000
N3	-0.039	-1.371	0.000
H4	0.837	1.951	0.000
H5	0.382	-1.764	0.845
H6	-1.055	-1.493	0.000
H7	0.382	-1.764	-0.845

	H1	O2	N3	H4	H5	H6	H7
H1		0.9954	1.8981	1.6332	2.4644	2.2959	2.4644
O2	0.9954		2.8888	0.9768	3.4149	3.1776	3.4149
N3	1.8981	2.8888		3.4352	1.0223	1.0230	1.0223
H4	1.6332	0.9768	3.4352		3.8368	3.9290	3.8368
H5	2.4644	3.4149	1.0223	3.8368		1.6882	1.6896
H6	2.2959	3.1776	1.0230	3.9290	1.6882		1.6882
H7	2.4644	3.4149	1.0223	3.8368	1.6896	1.6882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	111.805	H1	N3	H5	111.549
H1	N3	H6	99.214	H1	N3	H7	111.549
O2	H1	N3	173.141	H5	N3	H6	111.257
H5	N3	H7	111.454	H6	N3	H7	111.257

All results from a given calculation for H₂ONH₃ (Water Ammonia Dimer)

using model chemistry: MP2/LANL2DZ

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	0.495
2	O	-0.870
3	N	-0.996
4	H	0.369
5	H	0.331
6	H	0.339
7	H	0.331

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2ONH3 (Water Ammonia Dimer)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for H₂ONH₃ (Water Ammonia Dimer)