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	hartrees
Energy at 0K	-132.205556
Energy at 298.15K	-132.209799
HF Energy	-132.205556
Counterpoise corrected energy	-132.204433
CP Energy at 298.15K	-132.208726
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	38.536951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4150	3729	82.53
2	A'	3967	3565	316.16
3	A'	3824	3436	5.14
4	A'	3692	3317	3.59
5	A'	1868	1678	94.50
6	A'	1847	1659	34.05
7	A'	1253	1126	204.87
8	A'	425	382	124.70
9	A'	185	166	19.89
10	A'	161	145	46.15
11	A"	3824	3436	6.11
12	A"	1844	1656	25.10
13	A"	673	605	246.16
14	A"	158	142	42.18
15	A"	19	17	85.49

Atom	x (Å)	y (Å)	z (Å)
H1	0.006	0.653	0.000
O2	-0.035	1.607	0.000
N3	-0.035	-1.432	0.000
H4	0.866	1.896	0.000
H5	0.799	-1.989	0.000
H6	-0.570	-1.694	0.807
H7	-0.570	-1.694	-0.807

	H1	O2	N3	H4	H5	H6	H7
H1		0.9553	2.0853	1.5121	2.7584	2.5478	2.5478
O2	0.9553		3.0393	0.9465	3.6918	3.4404	3.4404
N3	2.0853	3.0393		3.4484	1.0029	1.0029	1.0029
H4	1.5121	0.9465	3.4484		3.8863	3.9504	3.9504
H5	2.7584	3.6918	1.0029	3.8863		1.6158	1.6158
H6	2.5478	3.4404	1.0029	3.9504	1.6158		1.6146
H7	2.5478	3.4404	1.0029	3.9504	1.6158	1.6146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.325	H1	N3	H5	122.614
H1	N3	H6	105.770	H1	N3	H7	105.770
O2	H1	N3	176.400	H5	N3	H6	107.326
H5	N3	H7	107.326	H6	N3	H7	107.208

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

using model chemistry: HF/6-31G*

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	-0.934
3	N	-1.029
4	H	0.416
5	H	0.348
6	H	0.352
7	H	0.352

	x	y	z	Total
	1.332	-3.765	0.000	3.993
CHELPG
AIM
ESP

	x	y	z
x	2.064	0.076	-0.004
y	0.076	2.233	-0.001
z	-0.004	-0.001	1.685

<r²>	59.689
(<r²>)^1/2	7.726

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

using model chemistry: HF/6-31G*

States and conformations

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