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State	Conformation	minimum conformation	conformer description	state description
1	1	no
1	2	no

	hartrees
Energy at 0K	-112.993703
Energy at 298.15K
HF Energy	-112.993703
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	39.963201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3485	3464	0.00
2	A_g	3355	3335	0.00
3	A_g	1603	1593	0.00
4	A_g	1045	1039	0.00
5	A_g	412	410	0.00
6	A_g	132	131	0.00
7	A_u	3506	3484	3.69
8	A_u	1608	1598	18.23
9	A_u	211	209	68.77
10	A_u	65	65	23.15
11	B_g	3505	3484	0.00
12	B_g	1597	1588	0.00
13	B_g	85	84	0.00
14	B_u	3485	3463	33.88
15	B_u	3357	3337	50.26
16	B_u	1581	1571	15.17
17	B_u	1022	1016	257.77
18	B_u	117i	116i	215.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.698	0.825	0.000
N2	0.000	1.580	0.000
N3	0.000	-1.580	0.000
H4	0.207	2.164	0.819
H5	0.207	2.164	-0.819
H6	-0.698	-0.825	0.000
H7	-0.207	-2.164	-0.819
H8	-0.207	-2.164	0.819

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0288	2.5047	1.6444	1.6444	2.1616	3.2284	3.2284
N2	1.0288		3.1609	1.0265	1.0265	2.5047	3.8383	3.8383
N3	2.5047	3.1609		3.8383	3.8383	1.0288	1.0265	1.0265
H4	1.6444	1.0265	3.8383		1.6376	3.2284	4.6456	4.3474
H5	1.6444	1.0265	3.8383	1.6376		3.2284	4.3474	4.6456
H6	2.1616	2.5047	1.0288	3.2284	3.2284		1.6444	1.6444
H7	3.2284	3.8383	1.0265	4.6456	4.3474	1.6444		1.6376
H8	3.2284	3.8383	1.0265	4.3474	4.6456	1.6444	1.6376

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

Conformer 1 ()

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH3NH3 (Ammonia Dimer)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

Conformer 1 ()

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