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

	hartrees
Energy at 0K	-112.751402
Energy at 298.15K	-112.756813
HF Energy	-112.371745
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	40.206649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3572	3436
2	A_g	3429	3299
3	A_g	1753	1686
4	A_g	1220	1174
5	A_g	482	463
6	A_g	151	146
7	A_u	3570	3435
8	A_u	1769	1702
9	A_u	259	249
10	A_u	79	76
11	B_g	3570	3434
12	B_g	1756	1690
13	B_g	120	116
14	B_u	3571	3436
15	B_u	3432	3302
16	B_u	1728	1663
17	B_u	1196	1151
18	B_u	101	97

Atom	x (Å)	y (Å)	z (Å)
H1	0.671	0.802	0.000
N2	0.000	1.574	0.000
N3	0.000	-1.574	0.000
H4	0.225	2.147	0.815
H5	0.225	2.147	-0.815
H6	-0.671	-0.802	0.000
H7	-0.225	-2.147	-0.815
H8	-0.225	-2.147	0.815

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0225	2.4684	1.6353	1.6353	2.0910	3.1883	3.1883
N2	1.0225		3.1472	1.0219	1.0219	2.4684	3.8159	3.8159
N3	2.4684	3.1472		3.8159	3.8159	1.0225	1.0219	1.0219
H4	1.6353	1.0219	3.8159		1.6305	3.1883	4.6159	4.3184
H5	1.6353	1.0219	3.8159	1.6305		3.1883	4.3184	4.6159
H6	2.0910	2.4684	1.0225	3.1883	3.1883		1.6353	1.6353
H7	3.1883	3.8159	1.0219	4.6159	4.3184	1.6353		1.6305
H8	3.1883	3.8159	1.0219	4.3184	4.6159	1.6353	1.6305

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

using model chemistry: CCSD(T)/6-31G*

States and conformations

Conformer 1 ()

Conformer 2 ()

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	106.239	H1	N2	H5	106.239
H1	H3	N6	56.768	H1	H3	H7	126.881
H1	H3	H8	126.881	N2	H1	H3	123.232
H4	N2	H5	105.825	N6	H3	H7	106.239
N6	H3	H8	106.239	H7	H3	H8	105.825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3573	3437
2	A'	3572	3437
3	A'	3433	3303
4	A'	3430	3300
5	A'	1754	1687
6	A'	1729	1664
7	A'	1219	1173
8	A'	1194	1149
9	A'	484	465
10	A'	151	146
11	A'	103	99
12	A"	3571	3436
13	A"	3571	3435
14	A"	1768	1701
15	A"	1756	1689
16	A"	256	246
17	A"	129	124
18	A"	99	95

Atom	x (Å)	y (Å)	z (Å)
H1	-0.669	-0.801	0.000
N2	-0.000	-1.574	0.000
N3	-0.000	1.574	0.000
H4	-0.225	-2.147	0.815
H5	-0.225	-2.147	-0.815
H6	0.668	0.800	0.000
H7	0.226	2.147	-0.815
H8	0.226	2.147	0.815

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0224	2.4672	1.6356	1.6356	2.0853	3.1868	3.1868
N2	1.0224		3.1479	1.0218	1.0218	2.4658	3.8160	3.8160
N3	2.4672	3.1479		3.8163	3.8163	1.0224	1.0218	1.0218
H4	1.6356	1.0218	3.8163		1.6303	3.1855	4.6158	4.3183
H5	1.6356	1.0218	3.8163	1.6303		3.1855	4.3183	4.6158
H6	2.0853	2.4658	1.0224	3.1855	3.1855		1.6356	1.6356
H7	3.1868	3.8160	1.0218	4.6158	4.3183	1.6356		1.6303
H8	3.1868	3.8160	1.0218	4.3183	4.6158	1.6356	1.6303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	106.283	H1	N2	H5	106.283
H1	H3	N6	56.511	H1	H3	H7	126.865
H1	H3	H8	126.865	N2	H1	H3	123.397
H4	N2	H5	105.832	N6	H3	H7	106.277
N6	H3	H8	106.277	H7	H3	H8	105.828

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

using model chemistry: CCSD(T)/6-31G*

States and conformations

Conformer 1 ()

Conformer 2 ()

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