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	hartrees
Energy at 0K	-113.122790
Energy at 298.15K	-113.128284
HF Energy	-113.122790
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	40.540278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3580	3440	0.00
2	A_g	3452	3317	0.00
3	A_g	1700	1634	0.00
4	A_g	1124	1080	0.00
5	A_g	483	464	0.00
6	A_g	157	151	0.00
7	A_u	3593	3452	0.16
8	A_u	1717	1649	25.69
9	A_u	258	248	110.85
10	A_u	108	104	30.20
11	B_g	3593	3452	0.00
12	B_g	1705	1638	0.00
13	B_g	146	140	0.00
14	B_u	3580	3440	22.47
15	B_u	3455	3319	31.09
16	B_u	1672	1607	13.09
17	B_u	1101	1058	330.43
18	B_u	97	94	311.98

Atom	x (Å)	y (Å)	z (Å)
H1	0.665	0.779	0.000
N2	0.000	1.551	0.000
N3	0.000	-1.551	0.000
H4	0.220	2.122	0.813
H5	0.220	2.122	-0.813
H6	-0.665	-0.779	0.000
H7	-0.220	-2.122	-0.813
H8	-0.220	-2.122	0.813

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0192	2.4224	1.6321	1.6321	2.0480	3.1397	3.1397
N2	1.0192		3.1015	1.0176	1.0176	2.4224	3.7681	3.7681
N3	2.4224	3.1015		3.7681	3.7681	1.0192	1.0176	1.0176
H4	1.6321	1.0176	3.7681		1.6257	3.1397	4.5660	4.2668
H5	1.6321	1.0176	3.7681	1.6257		3.1397	4.2668	4.5660
H6	2.0480	2.4224	1.0192	3.1397	3.1397		1.6321	1.6321
H7	3.1397	3.7681	1.0176	4.5660	4.2668	1.6321		1.6257
H8	3.1397	3.7681	1.0176	4.2668	4.5660	1.6321	1.6257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	106.508	H1	N2	H5	106.508
H1	H3	N6	56.682	H1	H3	H7	126.814
H1	H3	H8	126.814	N2	H1	H3	123.318
H4	N2	H5	106.026	N6	H3	H7	106.508
N6	H3	H8	106.508	H7	H3	H8	106.026

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

using model chemistry: B3LYP/6-31G**

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	0.266
2	N	-0.741
3	N	-0.741
4	H	0.238
5	H	0.238
6	H	0.266
7	H	0.238
8	H	0.238

	x	y	z
x	1.878	-0.017	0.000
y	-0.017	3.577	0.000
z	0.000	0.000	2.840

<r²>	64.488
(<r²>)^1/2	8.030

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

using model chemistry: B3LYP/6-31G**

States and conformations

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