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	hartrees
Energy at 0K	-928.280734
Energy at 298.15K
HF Energy	-928.280734
Nuclear repulsion energy	287.930387

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'	2210	2127	0.00	910.72	0.00	0.00
2	A'	2203	2120	0.00	80.78	0.64	0.78
3	A'	994	956	0.00	2.11	0.74	0.85
4	A'	941	906	0.00	5.70	0.75	0.86
5	A'	644	620	0.00	0.38	0.22	0.36
6	A'	476	458	0.00	21.08	0.05	0.09
7	A"	2205	2122	350.21	0.00	0.75	0.86
8	A"	926	891	141.53	0.00	0.75	0.86
9	A"	716	689	100.45	0.00	0.75	0.86
10	A"	156	150	0.94	0.00	0.75	0.86
11	A"	80	77	0.01	0.00	0.75	0.86
12	E'	2213	2129	202.26	67.83	0.75	0.86
12	E'	2213	2129	202.30	67.79	0.75	0.86
13	E'	2198	2115	74.96	3.90	0.75	0.86
13	E'	2198	2115	74.95	3.90	0.75	0.86
14	E'	988	950	75.12	1.67	0.75	0.86
14	E'	988	950	75.12	1.68	0.75	0.86
15	E'	949	913	163.41	7.86	0.75	0.86
15	E'	949	913	163.41	7.85	0.75	0.86
16	E'	920	885	533.82	6.14	0.75	0.86
16	E'	920	885	533.83	6.16	0.75	0.86
17	E'	678	652	2.26	5.35	0.75	0.86
17	E'	678	652	2.26	5.35	0.75	0.86
18	E'	167	160	0.52	0.20	0.75	0.86
18	E'	167	160	0.52	0.20	0.75	0.86
19	E"	2202	2119	0.00	128.97	0.75	0.86
19	E"	2202	2119	0.00	129.14	0.75	0.86
20	E"	928	893	0.00	11.64	0.75	0.86
20	E"	928	893	0.00	11.64	0.75	0.86
21	E"	678	652	0.00	4.20	0.75	0.86
21	E"	678	652	0.00	4.18	0.75	0.86
22	E"	83	79	0.00	0.11	0.75	0.86
22	E"	83	79	0.00	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.767	0.000
Si3	-1.530	-0.884	0.000
Si4	1.530	-0.884	0.000
H5	-1.432	2.209	0.000
H6	-1.198	-2.344	0.000
H7	2.629	0.135	0.000
H8	0.690	2.309	1.215
H9	0.690	2.309	-1.215
H10	-2.344	-0.557	1.215
H11	-2.344	-0.557	-1.215
H12	1.655	-1.752	1.215
H13	1.655	-1.752	-1.215

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7671	1.7671	1.7671	2.6326	2.6326	2.6326	2.6983	2.6983	2.6983	2.6983	2.6983	2.6983
Si2	1.7671		3.0607	3.0607	1.4983	4.2823	3.0945	1.4981	1.4981	3.5174	3.5174	4.0735	4.0735
Si3	1.7671	3.0607		3.0607	3.0945	1.4983	4.2823	4.0735	4.0735	1.4981	1.4981	3.5174	3.5174
Si4	1.7671	3.0607	3.0607		4.2823	3.0945	1.4983	3.5174	3.5174	4.0735	4.0735	1.4981	1.4981
H5	2.6326	1.4983	3.0945	4.2823		4.5598	4.5598	2.4463	2.4463	3.1562	3.1562	5.1660	5.1660
H6	2.6326	4.2823	1.4983	3.0945	4.5598		4.5598	5.1660	5.1660	2.4463	2.4463	3.1562	3.1562
H7	2.6326	3.0945	4.2823	1.4983	4.5598	4.5598		3.1562	3.1562	5.1660	5.1660	2.4463	2.4463
H8	2.6983	1.4981	4.0735	3.5174	2.4463	5.1660	3.1562		2.4293	4.1733	4.8288	4.1733	4.8288
H9	2.6983	1.4981	4.0735	3.5174	2.4463	5.1660	3.1562	2.4293		4.8288	4.1733	4.8288	4.1733
H10	2.6983	3.5174	1.4981	4.0735	3.1562	2.4463	5.1660	4.1733	4.8288		2.4293	4.1733	4.8288
H11	2.6983	3.5174	1.4981	4.0735	3.1562	2.4463	5.1660	4.8288	4.1733	2.4293		4.8288	4.1733
H12	2.6983	4.0735	3.5174	1.4981	5.1660	3.1562	2.4463	4.1733	4.8288	4.1733	4.8288		2.4293
H13	2.6983	4.0735	3.5174	1.4981	5.1660	3.1562	2.4463	4.8288	4.1733	4.8288	4.1733	2.4293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.170	N1	Si2	H8	111.193
N1	Si2	H9	111.193	N1	Si3	H6	107.170
N1	Si3	H10	111.193	N1	Si3	H11	111.193
N1	Si4	H7	107.170	N1	Si4	H12	111.193
N1	Si4	H13	111.193	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.459	H5	Si2	H9	109.459
H6	Si3	H10	109.459	H6	Si3	H11	109.459
H7	Si4	H12	109.459	H7	Si4	H13	109.459
H8	Si2	H9	108.345	H10	Si3	H11	108.345
H12	Si4	H13	108.345

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	-0.320
2	Si	-0.912
3	Si	-0.912
4	Si	-0.912
5	H	0.300
6	H	0.300
7	H	0.300
8	H	0.359
9	H	0.359
10	H	0.359
11	H	0.359
12	H	0.359
13	H	0.359

	x	y	z
x	14.415	-0.000	0.000
y	-0.000	14.415	0.000
z	0.000	0.000	11.966

<r²>	228.056
(<r²>)^1/2	15.102

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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