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	hartrees
Energy at 0K	-928.161470
Energy at 298.15K
HF Energy	-928.014415
Nuclear repulsion energy	290.374150

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'	2292	2174	0.00	541.41	0.00	0.00
2	A'	2280	2163	0.00	89.52	0.55	0.71
3	A'	1059	1005	0.00	16.47	0.75	0.85
4	A'	988	937	0.00	16.14	0.75	0.86
5	A'	672	637	0.00	1.16	0.03	0.06
6	A'	486	461	0.00	15.10	0.08	0.15
7	A"	2280	2163	526.13	0.00	0.75	0.86
8	A"	971	921	228.58	0.00	0.75	0.86
9	A"	753	714	122.49	0.00	0.75	0.86
10	A"	180	171	1.21	0.00	0.75	0.86
11	A"	86	81	0.01	0.00	0.75	0.86
12	E'	2292	2174	294.48	59.05	0.75	0.86
12	E'	2292	2174	294.57	59.05	0.75	0.86
13	E'	2274	2157	95.16	3.68	0.75	0.86
13	E'	2274	2157	95.11	3.68	0.75	0.86
14	E'	1022	969	42.27	6.04	0.75	0.86
14	E'	1022	969	42.25	6.04	0.75	0.86
15	E'	997	946	289.20	4.89	0.75	0.86
15	E'	997	946	289.22	4.89	0.75	0.86
16	E'	971	921	645.36	27.15	0.75	0.86
16	E'	971	921	645.41	27.15	0.75	0.86
17	E'	703	667	3.13	13.67	0.75	0.86
17	E'	703	667	3.13	13.68	0.75	0.86
18	E'	184	174	0.48	0.14	0.75	0.86
18	E'	184	174	0.48	0.14	0.75	0.86
19	E"	2276	2159	0.00	98.10	0.75	0.86
19	E"	2276	2159	0.00	98.10	0.75	0.86
20	E"	965	915	0.00	26.13	0.75	0.86
20	E"	965	915	0.00	26.13	0.75	0.86
21	E"	702	666	0.00	14.28	0.75	0.86
21	E"	702	666	0.00	14.29	0.75	0.86
22	E"	78	74	0.00	0.68	0.75	0.86
22	E"	78	74	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	1.751	0.000
Si3	-1.517	-0.876	0.000
Si4	1.517	-0.876	0.000
H5	-1.415	2.198	0.000
H6	-1.195	-2.325	0.000
H7	2.611	0.127	0.000
H8	0.679	2.303	1.200
H9	0.679	2.303	-1.200
H10	-2.334	-0.563	1.200
H11	-2.334	-0.563	-1.200
H12	1.655	-1.740	1.200
H13	1.655	-1.740	-1.200

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7514	1.7514	1.7514	2.6141	2.6141	2.6141	2.6841	2.6841	2.6841	2.6841	2.6841	2.6841
Si2	1.7514		3.0335	3.0335	1.4842	4.2478	3.0750	1.4849	1.4849	3.4992	3.4992	4.0456	4.0456
Si3	1.7514	3.0335		3.0335	3.0750	1.4842	4.2478	4.0456	4.0456	1.4849	1.4849	3.4992	3.4992
Si4	1.7514	3.0335	3.0335		4.2478	3.0750	1.4842	3.4992	3.4992	4.0456	4.0456	1.4849	1.4849
H5	2.6141	1.4842	3.0750	4.2478		4.5277	4.5277	2.4163	2.4163	3.1472	3.1472	5.1352	5.1352
H6	2.6141	4.2478	1.4842	3.0750	4.5277		4.5277	5.1352	5.1352	2.4163	2.4163	3.1472	3.1472
H7	2.6141	3.0750	4.2478	1.4842	4.5277	4.5277		3.1472	3.1472	5.1352	5.1352	2.4163	2.4163
H8	2.6841	1.4849	4.0456	3.4992	2.4163	5.1352	3.1472		2.3991	4.1590	4.8013	4.1590	4.8013
H9	2.6841	1.4849	4.0456	3.4992	2.4163	5.1352	3.1472	2.3991		4.8013	4.1590	4.8013	4.1590
H10	2.6841	3.4992	1.4849	4.0456	3.1472	2.4163	5.1352	4.1590	4.8013		2.3991	4.1590	4.8013
H11	2.6841	3.4992	1.4849	4.0456	3.1472	2.4163	5.1352	4.8013	4.1590	2.3991		4.8013	4.1590
H12	2.6841	4.0456	3.4992	1.4849	5.1352	3.1472	2.4163	4.1590	4.8013	4.1590	4.8013		2.3991
H13	2.6841	4.0456	3.4992	1.4849	5.1352	3.1472	2.4163	4.8013	4.1590	4.8013	4.1590	2.3991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.498	N1	Si2	H8	111.809
N1	Si2	H9	111.809	N1	Si3	H6	107.498
N1	Si3	H10	111.809	N1	Si3	H11	111.809
N1	Si4	H7	107.498	N1	Si4	H12	111.809
N1	Si4	H13	111.809	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	108.946	H5	Si2	H9	108.946
H6	Si3	H10	108.946	H6	Si3	H11	108.946
H7	Si4	H12	108.946	H7	Si4	H13	108.946
H8	Si2	H9	107.772	H10	Si3	H11	107.772
H12	Si4	H13	107.772

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for N(SiH3)3 (trisilylamine)

using model chemistry: B2PLYP=FULL/6-31G*

States and conformations

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