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	hartrees
Energy at 0K	-112.319343
Energy at 298.15K	-112.325609
HF Energy	-112.319343
Counterpoise corrected energy	-56.150852
CP Energy at 298.15K	-56.156557
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	41.757761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3389	3359	0.00
2	A_g	3193	3164	0.00
3	A_g	1711	1696	0.00
4	A_g	1045	1035	0.00
5	A_g	622	616	0.00
6	A_g	246	243	0.00
7	A_u	3443	3411	4.19
8	A_u	1747	1731	26.15
9	A_u	390	386	88.59
10	A_u	172	170	46.48
11	B_g	3441	3410	0.00
12	B_g	1731	1716	0.00
13	B_g	252	250	0.00
14	B_u	3390	3359	36.05
15	B_u	3226	3196	203.92
16	B_u	1667	1652	10.60
17	B_u	848	840	480.67
18	B_u	216	214	460.26

Atom	x (Å)	y (Å)	z (Å)
H1	0.647	0.603	0.000
N2	0.000	1.417	0.000
N3	0.000	-1.417	0.000
H4	0.146	1.995	0.842
H5	0.146	1.995	-0.842
H6	-0.647	-0.603	0.000
H7	-0.146	-1.995	-0.842
H8	-0.146	-1.995	0.842

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0394	2.1208	1.7026	1.7026	1.7682	2.8444	2.8444
N2	1.0394		2.8337	1.0324	1.0324	2.1208	3.5178	3.5178
N3	2.1208	2.8337		3.5178	3.5178	1.0394	1.0324	1.0324
H4	1.7026	1.0324	3.5178		1.6849	2.8444	4.3419	4.0017
H5	1.7026	1.0324	3.5178	1.6849		2.8444	4.0017	4.3419
H6	1.7682	2.1208	1.0394	2.8444	2.8444		1.7026	1.7026
H7	2.8444	3.5178	1.0324	4.3419	4.0017	1.7026		1.6849
H8	2.8444	3.5178	1.0324	4.0017	4.3419	1.7026	1.6849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	110.527	H1	N2	H5	110.527
H1	H3	N6	56.215	H1	H3	H7	125.238
H1	H3	H8	125.238	N2	H1	H3	123.785
H4	N2	H5	109.368	N6	H3	H7	110.527
N6	H3	H8	110.527	H7	H3	H8	109.368

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

using model chemistry: PBEPBE/3-21G

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	0.285
2	N	-0.800
3	N	-0.800
4	H	0.257
5	H	0.257
6	H	0.285
7	H	0.257
8	H	0.257

	x	y	z
x	1.168	-0.044	0.000
y	-0.044	3.723	0.000
z	0.000	0.000	2.521

<r²>	56.144
(<r²>)^1/2	7.493

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

using model chemistry: PBEPBE/3-21G

States and conformations

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