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	hartrees
Energy at 0K	-132.998150
Energy at 298.15K
HF Energy	-132.998150
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	38.628615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3869	3733	34.54
2	A'	3610	3483	450.12
3	A'	3595	3469	5.51
4	A'	3474	3353	1.77
5	A'	1710	1650	47.00
6	A'	1675	1616	29.59
7	A'	1107	1068	112.06
8	A'	425	410	77.55
9	A'	194	187	9.56
10	A'	168	162	32.45
11	A"	3595	3469	5.85
12	A"	1674	1615	16.44
13	A"	641	618	120.21
14	A"	137	132	20.93
15	A"	45i	44i	66.88

Atom	x (Å)	y (Å)	z (Å)
H1	-0.012	0.605	0.000
O2	-0.040	1.578	0.000
N3	-0.040	-1.392	0.000
H4	0.887	1.833	0.000
H5	0.839	-1.902	0.000
H6	-0.559	-1.708	0.814
H7	-0.559	-1.708	-0.814

	H1	O2	N3	H4	H5	H6	H7
H1		0.9743	1.9971	1.5219	2.6472	2.5119	2.5119
O2	0.9743		2.9708	0.9610	3.5900	3.4253	3.4253
N3	1.9971	2.9708		3.3555	1.0159	1.0161	1.0161
H4	1.5219	0.9610	3.3555		3.7353	3.9102	3.9102
H5	2.6472	3.5900	1.0159	3.7353		1.6295	1.6295
H6	2.5119	3.4253	1.0161	3.9102	1.6295		1.6286
H7	2.5119	3.4253	1.0161	3.9102	1.6295	1.6286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.691	H1	N3	H5	119.329
H1	N3	H6	108.524	H1	N3	H7	108.524
O2	H1	N3	177.545	H5	N3	H6	106.628
H5	N3	H7	106.628	H6	N3	H7	106.535

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

using model chemistry: B3LYP/6-31G(2df,p)

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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