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	hartrees
Energy at 0K	-132.800221
Energy at 298.15K	-132.804572
HF Energy	-132.287164
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	38.927789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3908	3724	85.78
2	A'	3642	3471	17.29
3	A'	3588	3419	569.69
4	A'	3499	3334	2.03
5	A'	1679	1600	1.72
6	A'	1654	1576	55.54
7	A'	1094	1042	146.77
8	A'	461	439	82.26
9	A'	201	192	26.34
10	A'	169	161	30.09
11	A"	3646	3475	15.88
12	A"	1669	1591	16.66
13	A"	716	682	86.39
14	A"	179	170	42.96
15	A"	13	12	66.37

Atom	x (Å)	y (Å)	z (Å)
H1	-0.077	0.579	0.000
O2	0.038	1.547	0.000
N3	0.038	-1.375	0.000
H4	-0.855	1.899	0.000
H5	1.037	-1.542	0.000
H6	-0.338	-1.845	0.814
H7	-0.338	-1.845	-0.814

	H1	O2	N3	H4	H5	H6	H7
H1		0.9750	1.9575	1.5328	2.3957	2.5705	2.5705
O2	0.9750		2.9224	0.9603	3.2469	3.5089	3.5089
N3	1.9575	2.9224		3.3940	1.0129	1.0124	1.0124
H4	1.5328	0.9603	3.3940		3.9273	3.8665	3.8665
H5	2.3957	3.2469	1.0129	3.9273		1.6265	1.6265
H6	2.5705	3.5089	1.0124	3.8665	1.6265		1.6281
H7	2.5705	3.5089	1.0124	3.8665	1.6265	1.6281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.745	H1	N3	H5	102.842
H1	N3	H6	116.206	H1	N3	H7	116.206
O2	H1	N3	169.890	H5	N3	H6	106.855
H5	N3	H7	106.855	H6	N3	H7	107.042

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

using model chemistry: MP2/aug-cc-pVTZ

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	0.286
2	O	-0.510
3	N	-0.417
4	H	0.185
5	H	0.141
6	H	0.158
7	H	0.158

	x	y	z	Total
	-1.273	-3.370	0.000	3.603
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

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