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	hartrees
Energy at 0K	-928.702681
Energy at 298.15K
HF Energy	-928.702681
Nuclear repulsion energy	289.938999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	2244	2156	0.00	562.46	0.00	0.00
2	A'	2230	2143	0.00	85.06	0.61	0.76
3	A'	1042	1001	0.00	14.61	0.75	0.86
4	A'	972	934	0.00	14.58	0.75	0.86
5	A'	660	634	0.00	1.30	0.05	0.09
6	A'	481	462	0.00	15.22	0.08	0.15
7	A"	2230	2143	484.12	0.00	0.75	0.86
8	A"	955	918	199.47	0.00	0.75	0.86
9	A"	743	714	114.58	0.00	0.75	0.86
10	A"	179	172	1.18	0.00	0.75	0.86
11	A"	74	71	0.02	0.00	0.75	0.86
12	E'	2242	2154	279.05	59.22	0.75	0.86
12	E'	2242	2154	279.08	59.22	0.75	0.86
13	E'	2226	2139	84.16	4.98	0.75	0.86
13	E'	2226	2139	84.16	4.99	0.75	0.86
14	E'	1008	969	34.95	5.53	0.75	0.86
14	E'	1008	969	34.95	5.53	0.75	0.86
15	E'	982	943	273.23	5.32	0.75	0.86
15	E'	982	943	273.23	5.32	0.75	0.86
16	E'	955	918	604.41	24.38	0.75	0.86
16	E'	955	918	604.46	24.38	0.75	0.86
17	E'	691	664	3.37	13.14	0.75	0.86
17	E'	691	664	3.37	13.14	0.75	0.86
18	E'	179	172	0.45	0.13	0.75	0.86
18	E'	179	172	0.45	0.13	0.75	0.86
19	E"	2226	2139	0.00	100.94	0.75	0.86
19	E"	2226	2139	0.00	100.95	0.75	0.86
20	E"	950	913	0.00	24.41	0.75	0.86
20	E"	950	913	0.00	24.42	0.75	0.86
21	E"	692	665	0.00	13.16	0.75	0.86
21	E"	692	665	0.00	13.16	0.75	0.86
22	E"	73	70	0.00	0.65	0.75	0.86
22	E"	73	70	0.00	0.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.754	0.000
Si3	-1.519	-0.877	0.000
Si4	1.519	-0.877	0.000
H5	-1.417	2.203	0.000
H6	-1.199	-2.329	0.000
H7	2.616	0.126	0.000
H8	0.679	2.307	1.202
H9	0.679	2.307	-1.202
H10	-2.338	-0.565	1.202
H11	-2.338	-0.565	-1.202
H12	1.659	-1.742	1.202
H13	1.659	-1.742	-1.202

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7539	1.7539	1.7539	2.6193	2.6193	2.6193	2.6887	2.6887	2.6887	2.6887	2.6887	2.6887
Si2	1.7539		3.0378	3.0378	1.4866	4.2551	3.0814	1.4872	1.4872	3.5054	3.5054	4.0517	4.0517
Si3	1.7539	3.0378		3.0378	3.0814	1.4866	4.2551	4.0517	4.0517	1.4872	1.4872	3.5054	3.5054
Si4	1.7539	3.0378	3.0378		4.2551	3.0814	1.4866	3.5054	3.5054	4.0517	4.0517	1.4872	1.4872
H5	2.6193	1.4866	3.0814	4.2551		4.5368	4.5368	2.4188	2.4188	3.1549	3.1549	5.1445	5.1445
H6	2.6193	4.2551	1.4866	3.0814	4.5368		4.5368	5.1445	5.1445	2.4188	2.4188	3.1549	3.1549
H7	2.6193	3.0814	4.2551	1.4866	4.5368	4.5368		3.1549	3.1549	5.1445	5.1445	2.4188	2.4188
H8	2.6887	1.4872	4.0517	3.5054	2.4188	5.1445	3.1549		2.4030	4.1662	4.8095	4.1662	4.8095
H9	2.6887	1.4872	4.0517	3.5054	2.4188	5.1445	3.1549	2.4030		4.8095	4.1662	4.8095	4.1662
H10	2.6887	3.5054	1.4872	4.0517	3.1549	2.4188	5.1445	4.1662	4.8095		2.4030	4.1662	4.8095
H11	2.6887	3.5054	1.4872	4.0517	3.1549	2.4188	5.1445	4.8095	4.1662	2.4030		4.8095	4.1662
H12	2.6887	4.0517	3.5054	1.4872	5.1445	3.1549	2.4188	4.1662	4.8095	4.1662	4.8095		2.4030
H13	2.6887	4.0517	3.5054	1.4872	5.1445	3.1549	2.4188	4.8095	4.1662	4.8095	4.1662	2.4030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.575	N1	Si2	H8	111.850
N1	Si2	H9	111.850	N1	Si3	H6	107.575
N1	Si3	H10	111.850	N1	Si3	H11	111.850
N1	Si4	H7	107.575	N1	Si4	H12	111.850
N1	Si4	H13	111.850	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	108.856	H5	Si2	H9	108.856
H6	Si3	H10	108.856	H6	Si3	H11	108.856
H7	Si4	H12	108.856	H7	Si4	H13	108.856
H8	Si2	H9	107.786	H10	Si3	H11	107.786
H12	Si4	H13	107.786

All results from a given calculation for N(SiH₃)₃ (trisilylamine)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.824
2	Si	0.587
3	Si	0.587
4	Si	0.587
5	H	-0.110
6	H	-0.110
7	H	-0.110
8	H	-0.101
9	H	-0.101
10	H	-0.101
11	H	-0.101
12	H	-0.101
13	H	-0.101

<r²>	225.059
(<r²>)^1/2	15.002

All results from a given calculation for N(SiH3)3 (trisilylamine)

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

States and conformations

All results from a given calculation for N(SiH₃)₃ (trisilylamine)