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	hartrees
Energy at 0K	-113.180698
Energy at 298.15K	-113.172967
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3574	3458	0.00
2	A_g	3458	3346	0.00
3	A_g	1671	1616	0.00
4	A_g	1061	1026	0.00
5	A_g	407	393	0.00
6	A_g	119	115	0.00
7	A_u	3587	3470	8.31
8	A_u	1679	1624	22.64
9	A_u	205	199	75.62
10	A_u	87	84	19.29
11	B_g	3587	3470	0.00
12	B_g	1668	1614	0.00
13	B_g	109	105	0.00
14	B_u	3574	3458	41.20
15	B_u	3460	3348	27.70
16	B_u	1654	1600	20.52
17	B_u	1036	1002	307.27
18	B_u	89i	86i	198.15

Atom	x (Å)	y (Å)	z (Å)
H1	0.685	0.868	0.000
N2	0.000	1.617	0.000
N3	0.000	-1.617	0.000
H4	0.177	2.193	0.815
H5	0.177	2.193	-0.815
H6	-0.685	-0.868	0.000
H7	-0.177	-2.193	-0.815
H8	-0.177	-2.193	0.815

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0147	2.5780	1.6359	1.6359	2.2115	3.2824	3.2824
N2	1.0147		3.2343	1.0131	1.0131	2.5780	3.8999	3.8999
N3	2.5780	3.2343		3.8999	3.8999	1.0147	1.0131	1.0131
H4	1.6359	1.0131	3.8999		1.6299	3.2824	4.6915	4.3993
H5	1.6359	1.0131	3.8999	1.6299		3.2824	4.3993	4.6915
H6	2.2115	2.5780	1.0147	3.2824	3.2824		1.6359	1.6359
H7	3.2824	3.8999	1.0131	4.6915	4.3993	1.6359		1.6299
H8	3.2824	3.8999	1.0131	4.3993	4.6915	1.6359	1.6299

Number	Element	Mulliken
1	H	0.185
2	N	-0.437
3	N	-0.437
4	H	0.126
5	H	0.126
6	H	0.185
7	H	0.126
8	H	0.126

All results from a given calculation for NH₃NH₃ (Ammonia Dimer)

using model chemistry: B3LYPultrafine_cp/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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<r²>	69.555
(<r²>)^1/2	8.340

All results from a given calculation for NH3NH3 (Ammonia Dimer)

using model chemistry: B3LYPultrafine_cp/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₃NH₃ (Ammonia Dimer)