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	hartrees
Energy at 0K	-56.511348
Energy at 298.15K
HF Energy	-56.511348
Nuclear repulsion energy	11.844692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3487	3448	0.00
2	A_g	3369	3331	0.00
3	A_g	1624	1605	0.00
4	A_g	1048	1037	0.00
5	A_g	419	414	0.00
6	A_g	128	127	0.00
7	A_u	3507	3468	5.62
8	A_u	1631	1613	19.27
9	A_u	213	210	70.60
10	A_u	93	92	19.94
11	B_g	3507	3468	0.00
12	B_g	1621	1603	0.00
13	B_g	116	115	0.00
14	B_u	3487	3447	38.02
15	B_u	3371	3333	46.63
16	B_u	1604	1586	16.41
17	B_u	1024	1013	269.13
18	B_u	88i	87i	208.53

Atom	x (Å)	y (Å)	z (Å)
H1	0.694	0.835	0.000
N2	0.000	1.588	0.000
N3	0.000	-1.588	0.000
H4	0.195	2.169	0.818
H5	0.195	2.169	-0.818
H6	-0.694	-0.835	0.000
H7	-0.195	-2.169	-0.818
H8	-0.195	-2.169	0.818

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0240	2.5206	1.6421	1.6421	2.1716	3.2379	3.2379
N2	1.0240		3.1762	1.0217	1.0217	2.5206	3.8500	3.8500
N3	2.5206	3.1762		3.8500	3.8500	1.0240	1.0217	1.0217
H4	1.6421	1.0217	3.8500		1.6350	3.2379	4.6524	4.3556
H5	1.6421	1.0217	3.8500	1.6350		3.2379	4.3556	4.6524
H6	2.1716	2.5206	1.0240	3.2379	3.2379		1.6421	1.6421
H7	3.2379	3.8500	1.0217	4.6524	4.3556	1.6421		1.6350
H8	3.2379	3.8500	1.0217	4.3556	4.6524	1.6421	1.6350

Number	Element	Mulliken
1	H	0.166
2	N	-0.390
3	N	-0.390
4	H	0.112
5	H	0.112
6	H	0.166
7	H	0.112
8	H	0.112

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

using model chemistry: PBEPBEultrafine_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>	67.913
(<r²>)^1/2	8.241

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

using model chemistry: PBEPBEultrafine_cp/aug-cc-pVTZ

States and conformations

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