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	hartrees
Energy at 0K	-928.672378
Energy at 298.15K
HF Energy	-928.672378
Nuclear repulsion energy	288.193527

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'	2173	2141	0.00	745.81	0.00	0.00
2	A'	2164	2133	0.00	115.06	0.54	0.70
3	A'	998	983	0.00	11.35	0.75	0.85
4	A'	941	927	0.00	9.96	0.74	0.85
5	A'	637	628	0.00	1.34	0.19	0.32
6	A'	467	461	0.00	16.97	0.08	0.14
7	A"	2161	2130	418.38	0.00	0.75	0.86
8	A"	923	910	165.95	0.00	0.75	0.86
9	A"	712	702	102.71	0.00	0.75	0.86
10	A"	164	161	0.83	0.00	0.75	0.86
11	A"	75	74	0.08	0.00	0.75	0.86
12	E'	2174	2143	229.39	75.99	0.75	0.86
12	E'	2174	2143	229.43	76.03	0.75	0.86
13	E'	2156	2125	92.92	5.34	0.75	0.86
13	E'	2156	2125	92.91	5.33	0.75	0.86
14	E'	976	962	51.21	3.74	0.75	0.86
14	E'	976	962	51.21	3.74	0.75	0.86
15	E'	949	935	181.83	9.24	0.75	0.86
15	E'	949	935	181.84	9.24	0.75	0.86
16	E'	919	906	605.37	19.60	0.75	0.86
16	E'	919	906	605.48	19.58	0.75	0.86
17	E'	673	663	3.58	14.48	0.75	0.86
17	E'	673	663	3.58	14.47	0.75	0.86
18	E'	179	176	0.57	0.19	0.75	0.86
18	E'	179	176	0.57	0.20	0.75	0.86
19	E"	2158	2127	0.00	143.39	0.75	0.86
19	E"	2158	2127	0.00	143.39	0.75	0.86
20	E"	922	908	0.00	26.06	0.75	0.86
20	E"	922	908	0.00	26.03	0.75	0.86
21	E"	670	661	0.00	17.33	0.75	0.86
21	E"	670	661	0.00	17.33	0.75	0.86
22	E"	71	70	0.00	0.55	0.75	0.86
22	E"	71	70	0.00	0.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.765	0.000
Si3	-1.529	-0.883	0.000
Si4	1.529	-0.883	0.000
H5	-1.428	2.210	0.000
H6	-1.200	-2.341	0.000
H7	2.627	0.132	0.000
H8	0.687	2.312	1.211
H9	0.687	2.312	-1.211
H10	-2.346	-0.561	1.211
H11	-2.346	-0.561	-1.211
H12	1.659	-1.751	1.211
H13	1.659	-1.751	-1.211

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7654	1.7654	1.7654	2.6307	2.6307	2.6307	2.6991	2.6991	2.6991	2.6991	2.6991	2.6991
Si2	1.7654		3.0577	3.0577	1.4953	4.2783	3.0938	1.4960	1.4960	3.5191	3.5191	4.0722	4.0722
Si3	1.7654	3.0577		3.0577	3.0938	1.4953	4.2783	4.0722	4.0722	1.4960	1.4960	3.5191	3.5191
Si4	1.7654	3.0577	3.0577		4.2783	3.0938	1.4953	3.5191	3.5191	4.0722	4.0722	1.4960	1.4960
H5	2.6307	1.4953	3.0938	4.2783		4.5565	4.5565	2.4391	2.4391	3.1604	3.1604	5.1653	5.1653
H6	2.6307	4.2783	1.4953	3.0938	4.5565		4.5565	5.1653	5.1653	2.4391	2.4391	3.1604	3.1604
H7	2.6307	3.0938	4.2783	1.4953	4.5565	4.5565		3.1604	3.1604	5.1653	5.1653	2.4391	2.4391
H8	2.6991	1.4960	4.0722	3.5191	2.4391	5.1653	3.1604		2.4227	4.1777	4.8294	4.1777	4.8294
H9	2.6991	1.4960	4.0722	3.5191	2.4391	5.1653	3.1604	2.4227		4.8294	4.1777	4.8294	4.1777
H10	2.6991	3.5191	1.4960	4.0722	3.1604	2.4391	5.1653	4.1777	4.8294		2.4227	4.1777	4.8294
H11	2.6991	3.5191	1.4960	4.0722	3.1604	2.4391	5.1653	4.8294	4.1777	2.4227		4.8294	4.1777
H12	2.6991	4.0722	3.5191	1.4960	5.1653	3.1604	2.4391	4.1777	4.8294	4.1777	4.8294		2.4227
H13	2.6991	4.0722	3.5191	1.4960	5.1653	3.1604	2.4391	4.8294	4.1777	4.8294	4.1777	2.4227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.279	N1	Si2	H8	111.441
N1	Si2	H9	111.441	N1	Si3	H6	107.279
N1	Si3	H10	111.441	N1	Si3	H11	111.441
N1	Si4	H7	107.279	N1	Si4	H12	111.441
N1	Si4	H13	111.441	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.252	H5	Si2	H9	109.252
H6	Si3	H10	109.252	H6	Si3	H11	109.252
H7	Si4	H12	109.252	H7	Si4	H13	109.252
H8	Si2	H9	108.143	H10	Si3	H11	108.143
H12	Si4	H13	108.142

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

using model chemistry: B97D3/TZVP

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	-0.588
2	Si	0.458
3	Si	0.458
4	Si	0.458
5	H	-0.090
6	H	-0.090
7	H	-0.090
8	H	-0.086
9	H	-0.086
10	H	-0.086
11	H	-0.086
12	H	-0.086
13	H	-0.086

<r²>	227.786
(<r²>)^1/2	15.093

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

using model chemistry: B97D3/TZVP

States and conformations

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