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	hartrees
Energy at 0K	-132.203247
Energy at 298.15K	-132.207841
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	39.073599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4155	3739	91.15
2	A'	3912	3520	19.95
3	A'	3849	3463	375.80
4	A'	3726	3353	5.36
5	A'	1827	1644	47.07
6	A'	1768	1591	147.88
7	A'	1017	915	478.03
8	A'	535	482	148.50
9	A'	225	202	70.92
10	A'	187	168	11.41
11	A"	3917	3525	17.51
12	A"	1831	1648	53.79
13	A"	808	727	333.18
14	A"	234	211	25.76
15	A"	31	27	171.23

Atom	x (Å)	y (Å)	z (Å)
H1	0.031	0.580	0.000
O2	-0.038	1.541	0.000
N3	-0.038	-1.408	0.000
H4	0.806	1.977	0.000
H5	0.382	-1.766	0.834
H6	-1.034	-1.497	0.000
H7	0.382	-1.766	-0.834

	H1	O2	N3	H4	H5	H6	H7
H1		0.9626	1.9894	1.5969	2.5144	2.3342	2.5144
O2	0.9626		2.9484	0.9500	3.4354	3.1965	3.4354
N3	1.9894	2.9484		3.4880	0.9996	1.0002	0.9996
H4	1.5969	0.9500	3.4880		3.8574	3.9307	3.8574
H5	2.5144	3.4354	0.9996	3.8574		1.6649	1.6677
H6	2.3342	3.1965	1.0002	3.9307	1.6649		1.6649
H7	2.5144	3.4354	0.9996	3.8574	1.6677	1.6649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	113.216	H1	N3	H5	110.073
H1	N3	H6	97.080	H1	N3	H7	110.073
O2	H1	N3	173.916	H5	N3	H6	112.713
H5	N3	H7	113.058	H6	N3	H7	112.713

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

using model chemistry: HF/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	0.482
2	O	-0.859
3	N	-0.995
4	H	0.373
5	H	0.331
6	H	0.338
7	H	0.331

	x	y	z	Total
	1.775	-3.566	0.000	3.984
CHELPG
AIM
ESP

	x	y	z
x	1.988	0.127	0.000
y	0.127	2.184	0.000
z	0.000	0.000	1.529

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/LANL2DZ

States and conformations

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