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	hartrees
Energy at 0K	-113.025222
Energy at 298.15K	-113.030403
HF Energy	-113.025222
Counterpoise corrected energy	-56.510043
CP Energy at 298.15K	-56.515197
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	39.540264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3517	3482	6.52
2	A'	3465	3430	50.71
3	A'	3396	3362	4.40
4	A'	3324	3291	147.16
5	A'	1620	1604	16.22
6	A'	1610	1594	12.38
7	A'	1051	1041	97.76
8	A'	1038	1027	144.18
9	A'	381	377	51.01
10	A'	138	136	18.08
11	A'	96	95	56.46
12	A"	3519	3484	5.73
13	A"	3513	3478	0.75
14	A"	1644	1627	8.01
15	A"	1618	1601	19.17
16	A"	264	261	35.25
17	A"	124	123	35.44
18	A"	33	32	14.64

Atom	x (Å)	y (Å)	z (Å)
H1	0.135	0.683	0.000
N2	-0.036	1.697	0.000
N3	-0.036	-1.563	0.000
H4	0.446	2.078	0.816
H5	0.446	2.078	-0.816
H6	-1.058	-1.591	0.000
H7	0.270	-2.092	-0.819
H8	0.270	-2.092	0.819

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0284	2.2519	1.6457	1.6457	2.5680	2.8958	2.8958
N2	1.0284		3.2593	1.0217	1.0217	3.4428	3.8879	3.8879
N3	2.2519	3.2593		3.7617	3.7617	1.0219	1.0216	1.0216
H4	1.6457	1.0217	3.7617		1.6327	4.0480	4.4819	4.1731
H5	1.6457	1.0217	3.7617	1.6327		4.0480	4.1731	4.4819
H6	2.5680	3.4428	1.0219	4.0480	4.0480		1.6379	1.6379
H7	2.8958	3.8879	1.0216	4.4819	4.1731	1.6379		1.6372
H8	2.8958	3.8879	1.0216	4.1731	4.4819	1.6379	1.6372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	106.783	H1	N2	H5	106.783
H1	H3	N6	95.972	H1	H3	H7	119.576
H1	H3	H8	119.576	N2	H1	H3	166.008
H4	N2	H5	106.067	N6	H3	H7	106.551
N6	H3	H8	106.551	H7	H3	H8	106.512

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2pd)

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	0.215
2	N	-0.366
3	N	-0.281
4	H	0.078
5	H	0.078
6	H	0.104
7	H	0.086
8	H	0.086

	x	y	z	Total
	0.925	-2.337	0.000	2.514
CHELPG
AIM
ESP

	x	y	z
x	4.200	0.108	0.000
y	0.108	5.036	0.000
z	0.000	0.000	3.769

<r²>	70.662
(<r²>)^1/2	8.406

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2pd)

States and conformations

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