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	hartrees
Energy at 0K	-928.600990
Energy at 298.15K
HF Energy	-928.600990
Nuclear repulsion energy	284.671426

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'	2138	2142	0.00	462.54	0.02	0.04
2	A'	2132	2135	0.00	321.55	0.10	0.18
3	A'	989	990	0.00	12.97	0.72	0.84
4	A'	930	931	0.00	11.03	0.75	0.85
5	A'	628	629	0.00	0.86	0.13	0.23
6	A'	452	452	0.00	21.16	0.08	0.14
7	A"	2128	2132	370.67	0.00	0.75	0.86
8	A"	911	912	146.51	0.00	0.75	0.86
9	A"	693	694	87.86	0.00	0.75	0.86
10	A"	161	162	0.99	0.00	0.75	0.86
11	A"	50	50	0.06	0.00	0.75	0.86
12	E'	2145	2148	191.82	74.38	0.75	0.86
12	E'	2145	2148	191.85	74.38	0.75	0.86
13	E'	2120	2123	101.42	8.37	0.75	0.86
13	E'	2120	2123	101.42	8.37	0.75	0.86
14	E'	951	953	30.49	5.60	0.75	0.86
14	E'	951	953	30.50	5.60	0.75	0.86
15	E'	932	933	108.17	11.83	0.75	0.86
15	E'	932	933	108.18	11.82	0.75	0.86
16	E'	905	907	625.37	16.76	0.75	0.86
16	E'	905	907	625.40	16.75	0.75	0.86
17	E'	655	656	6.70	14.28	0.75	0.86
17	E'	655	656	6.70	14.28	0.75	0.86
18	E'	175	176	0.58	0.17	0.75	0.86
18	E'	175	176	0.58	0.17	0.75	0.86
19	E"	2126	2129	0.00	137.54	0.75	0.86
19	E"	2126	2129	0.00	137.53	0.75	0.86
20	E"	908	910	0.00	26.14	0.75	0.86
20	E"	908	910	0.00	26.14	0.75	0.86
21	E"	665	666	0.00	16.22	0.75	0.86
21	E"	665	666	0.00	16.22	0.75	0.86
22	E"	65	65	0.00	0.51	0.75	0.86
22	E"	65	65	0.00	0.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.790	0.000
Si3	-1.550	-0.895	0.000
Si4	1.550	-0.895	0.000
H5	-1.438	2.235	0.000
H6	-1.217	-2.363	0.000
H7	2.654	0.128	0.000
H8	0.689	2.343	1.220
H9	0.689	2.343	-1.220
H10	-2.374	-0.575	1.220
H11	-2.374	-0.575	-1.220
H12	1.684	-1.768	1.220
H13	1.684	-1.768	-1.220

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7897	1.7897	1.7897	2.6576	2.6576	2.6576	2.7300	2.7300	2.7300	2.7300	2.7300	2.7300
Si2	1.7897		3.0999	3.0999	1.5052	4.3270	3.1319	1.5065	1.5065	3.5655	3.5655	4.1214	4.1214
Si3	1.7897	3.0999		3.0999	3.1319	1.5052	4.3270	4.1214	4.1214	1.5065	1.5065	3.5655	3.5655
Si4	1.7897	3.0999	3.0999		4.3270	3.1319	1.5052	3.5655	3.5655	4.1214	4.1214	1.5065	1.5065
H5	2.6576	1.5052	3.1319	4.3270		4.6030	4.6030	2.4545	2.4545	3.2028	3.2028	5.2215	5.2215
H6	2.6576	4.3270	1.5052	3.1319	4.6030		4.6030	5.2215	5.2215	2.4545	2.4545	3.2028	3.2028
H7	2.6576	3.1319	4.3270	1.5052	4.6030	4.6030		3.2028	3.2028	5.2215	5.2215	2.4545	2.4545
H8	2.7300	1.5065	4.1214	3.5655	2.4545	5.2215	3.2028		2.4402	4.2301	4.8834	4.2301	4.8834
H9	2.7300	1.5065	4.1214	3.5655	2.4545	5.2215	3.2028	2.4402		4.8834	4.2301	4.8834	4.2301
H10	2.7300	3.5655	1.5065	4.1214	3.2028	2.4545	5.2215	4.2301	4.8834		2.4402	4.2301	4.8834
H11	2.7300	3.5655	1.5065	4.1214	3.2028	2.4545	5.2215	4.8834	4.2301	2.4402		4.8834	4.2301
H12	2.7300	4.1214	3.5655	1.5065	5.2215	3.2028	2.4545	4.2301	4.8834	4.2301	4.8834		2.4402
H13	2.7300	4.1214	3.5655	1.5065	5.2215	3.2028	2.4545	4.8834	4.2301	4.8834	4.2301	2.4402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.206	N1	Si2	H8	111.544
N1	Si2	H9	111.544	N1	Si3	H6	107.206
N1	Si3	H10	111.544	N1	Si3	H11	111.544
N1	Si4	H7	107.206	N1	Si4	H12	111.544
N1	Si4	H13	111.544	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.170	H5	Si2	H9	109.170
H6	Si3	H10	109.170	H6	Si3	H11	109.170
H7	Si4	H12	109.170	H7	Si4	H13	109.170
H8	Si2	H9	108.164	H10	Si3	H11	108.164
H12	Si4	H13	108.164

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

using model chemistry: BLYP/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	-0.482
2	Si	0.359
3	Si	0.359
4	Si	0.359
5	H	-0.066
6	H	-0.066
7	H	-0.066
8	H	-0.066
9	H	-0.066
10	H	-0.066
11	H	-0.066
12	H	-0.066
13	H	-0.066

<r²>	232.771
(<r²>)^1/2	15.257

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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