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	hartrees
Energy at 0K	-928.693043
Energy at 298.15K
HF Energy	-928.693043
Nuclear repulsion energy	289.933183

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'	2255	2160	0.00	544.46	0.00	0.00
2	A'	2243	2149	0.00	97.16	0.50	0.67
3	A'	1042	998	0.00	15.81	0.75	0.86
4	A'	970	929	0.00	15.29	0.75	0.86
5	A'	660	632	0.00	1.23	0.04	0.07
6	A'	481	461	0.00	15.17	0.08	0.15
7	A"	2243	2149	517.67	0.00	0.75	0.86
8	A"	953	913	208.08	0.00	0.75	0.86
9	A"	741	710	116.09	0.00	0.75	0.86
10	A"	180	172	1.11	0.00	0.75	0.86
11	A"	75	72	0.02	0.00	0.75	0.86
12	E'	2255	2161	288.30	60.42	0.75	0.86
12	E'	2255	2161	288.33	60.42	0.75	0.86
13	E'	2237	2143	97.61	4.90	0.75	0.86
13	E'	2237	2143	97.61	4.90	0.75	0.86
14	E'	1007	964	43.00	5.47	0.75	0.86
14	E'	1007	964	43.00	5.47	0.75	0.86
15	E'	980	939	306.74	4.35	0.75	0.86
15	E'	980	939	306.74	4.35	0.75	0.86
16	E'	955	915	582.68	27.20	0.75	0.86
16	E'	955	915	582.74	27.20	0.75	0.86
17	E'	691	662	3.17	13.75	0.75	0.86
17	E'	691	662	3.17	13.75	0.75	0.86
18	E'	180	173	0.47	0.14	0.75	0.86
18	E'	180	173	0.47	0.14	0.75	0.86
19	E"	2239	2145	0.00	101.86	0.75	0.86
19	E"	2239	2145	0.00	101.87	0.75	0.86
20	E"	948	908	0.00	25.18	0.75	0.86
20	E"	948	908	0.00	25.18	0.75	0.86
21	E"	691	662	0.00	13.84	0.75	0.86
21	E"	691	662	0.00	13.84	0.75	0.86
22	E"	73	70	0.00	0.68	0.75	0.86
22	E"	73	70	0.00	0.68	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	-1.418	2.204	0.000
H6	-1.200	-2.330	0.000
H7	2.617	0.126	0.000
H8	0.680	2.308	1.202
H9	0.680	2.308	-1.202
H10	-2.339	-0.565	1.202
H11	-2.339	-0.565	-1.202
H12	1.659	-1.743	1.202
H13	1.659	-1.743	-1.202

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7535	1.7535	1.7535	2.6204	2.6204	2.6204	2.6897	2.6897	2.6897	2.6897	2.6897	2.6897
Si2	1.7535		3.0372	3.0372	1.4875	4.2558	3.0822	1.4882	1.4882	3.5059	3.5059	4.0525	4.0525
Si3	1.7535	3.0372		3.0372	3.0822	1.4875	4.2558	4.0525	4.0525	1.4882	1.4882	3.5059	3.5059
Si4	1.7535	3.0372	3.0372		4.2558	3.0822	1.4875	3.5059	3.5059	4.0525	4.0525	1.4882	1.4882
H5	2.6204	1.4875	3.0822	4.2558		4.5387	4.5387	2.4200	2.4200	3.1560	3.1560	5.1466	5.1466
H6	2.6204	4.2558	1.4875	3.0822	4.5387		4.5387	5.1466	5.1466	2.4200	2.4200	3.1560	3.1560
H7	2.6204	3.0822	4.2558	1.4875	4.5387	4.5387		3.1560	3.1560	5.1466	5.1466	2.4200	2.4200
H8	2.6897	1.4882	4.0525	3.5059	2.4200	5.1466	3.1560		2.4039	4.1677	4.8113	4.1677	4.8113
H9	2.6897	1.4882	4.0525	3.5059	2.4200	5.1466	3.1560	2.4039		4.8113	4.1677	4.8113	4.1677
H10	2.6897	3.5059	1.4882	4.0525	3.1560	2.4200	5.1466	4.1677	4.8113		2.4039	4.1677	4.8113
H11	2.6897	3.5059	1.4882	4.0525	3.1560	2.4200	5.1466	4.8113	4.1677	2.4039		4.8113	4.1677
H12	2.6897	4.0525	3.5059	1.4882	5.1466	3.1560	2.4200	4.1677	4.8113	4.1677	4.8113		2.4039
H13	2.6897	4.0525	3.5059	1.4882	5.1466	3.1560	2.4200	4.8113	4.1677	4.8113	4.1677	2.4039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.622	N1	Si2	H8	111.878
N1	Si2	H9	111.878	N1	Si3	H6	107.622
N1	Si3	H10	111.878	N1	Si3	H11	111.878
N1	Si4	H7	107.622	N1	Si4	H12	111.878
N1	Si4	H13	111.878	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	108.830	H5	Si2	H9	108.830
H6	Si3	H10	108.830	H6	Si3	H11	108.830
H7	Si4	H12	108.830	H7	Si4	H13	108.830
H8	Si2	H9	107.732	H10	Si3	H11	107.732
H12	Si4	H13	107.732

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

using model chemistry: B3LYPultrafine/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	-0.816
2	Si	0.507
3	Si	0.507
4	Si	0.507
5	H	-0.084
6	H	-0.084
7	H	-0.084
8	H	-0.076
9	H	-0.076
10	H	-0.076
11	H	-0.076
12	H	-0.076
13	H	-0.076

<r²>	225.144
(<r²>)^1/2	15.005

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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