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

	hartrees
Energy at 0K	-112.773659
Energy at 298.15K	-112.779149
HF Energy	-112.395007
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	40.486611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3704	3469	0.00
2	A_g	3548	3323	0.00
3	A_g	1733	1623	0.00
4	A_g	1161	1088	0.00
5	A_g	474	444	0.00
6	A_g	152	142	0.00
7	A_u	3713	3477	0.81
8	A_u	1748	1637	29.16
9	A_u	255	239	122.79
10	A_u	104	97	27.45
11	B_g	3713	3477	0.00
12	B_g	1736	1626	0.00
13	B_g	142	133	0.00
14	B_u	3704	3469	25.41
15	B_u	3553	3327	15.14
16	B_u	1708	1599	17.08
17	B_u	1138	1066	365.24
18	B_u	108	102	301.39

Atom	x (Å)	y (Å)	z (Å)
H1	0.661	0.798	0.000
N2	0.000	1.567	0.000
N3	0.000	-1.567	0.000
H4	0.218	2.135	0.809
H5	0.218	2.135	-0.809
H6	-0.661	-0.798	0.000
H7	-0.218	-2.135	-0.809
H8	-0.218	-2.135	0.809

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0140	2.4558	1.6246	1.6246	2.0723	3.1676	3.1676
N2	1.0140		3.1344	1.0128	1.0128	2.4558	3.7963	3.7963
N3	2.4558	3.1344		3.7963	3.7963	1.0140	1.0128	1.0128
H4	1.6246	1.0128	3.7963		1.6188	3.1676	4.5882	4.2931
H5	1.6246	1.0128	3.7963	1.6188		3.1676	4.2931	4.5882
H6	2.0723	2.4558	1.0140	3.1676	3.1676		1.6246	1.6246
H7	3.1676	3.7963	1.0128	4.5882	4.2931	1.6246		1.6188
H8	3.1676	3.7963	1.0128	4.2931	4.5882	1.6246	1.6188

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

using model chemistry: MP2/6-31G**

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	106.567	H1	N2	H5	106.567
H1	H3	N6	56.276	H1	H3	H7	126.755
H1	H3	H8	126.755	N2	H1	H3	123.724
H4	N2	H5	106.107	N6	H3	H7	106.567
N6	H3	H8	106.567	H7	H3	H8	106.107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3704	3469	25.10
2	A'	3704	3469	0.25
3	A'	3553	3328	15.27
4	A'	3549	3323	0.00
5	A'	1733	1623	0.00
6	A'	1708	1599	17.08
7	A'	1161	1087	0.00
8	A'	1138	1066	365.41
9	A'	474	444	0.00
10	A'	152	142	0.00
11	A'	107	100	301.43
12	A"	3714	3478	0.82
13	A"	3713	3478	0.00
14	A"	1748	1637	29.17
15	A"	1736	1626	0.00
16	A"	254	238	122.34
17	A"	140	131	0.00
18	A"	100	94	27.86

Atom	x (Å)	y (Å)	z (Å)
H1	0.167	0.694	0.000
N2	-0.027	1.681	0.000
N3	-0.027	-1.589	0.000
H4	0.354	2.117	0.816
H5	0.354	2.117	-0.816
H6	-1.019	-1.438	0.000
H7	0.265	-2.068	-0.831
H8	0.265	-2.068	0.831

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0062	2.2907	1.6512	1.6512	2.4395	2.8853	2.8853
N2	1.0062		3.2699	1.0006	1.0006	3.2731	3.8508	3.8508
N3	2.2907	3.2699		3.8136	3.8136	1.0032	1.0027	1.0027
H4	1.6512	1.0006	3.8136		1.6319	3.8974	4.4978	4.1855
H5	1.6512	1.0006	3.8136	1.6319		3.8974	4.1855	4.4978
H6	2.4395	3.2731	1.0032	3.8974	3.8974		1.6542	1.6542
H7	2.8853	3.8508	1.0027	4.4978	4.1855	1.6542		1.6620
H8	2.8853	3.8508	1.0027	4.1855	4.4978	1.6542	1.6620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	110.731	H1	N2	H5	110.731
H1	H3	N6	86.221	H1	H3	H7	116.811
H1	H3	H8	116.811	N2	H1	H3	164.023
H4	N2	H5	109.271	N6	H3	H7	111.111
N6	H3	H8	111.111	H7	H3	H8	111.947

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

using model chemistry: MP2/6-31G**

States and conformations

Conformer 1 ()

Conformer 2 ()

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