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	hartrees
Energy at 0K	-928.201473
Energy at 298.15K
HF Energy	-928.032006
Nuclear repulsion energy	290.263783

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'	2291	2291	0.00	722.65	0.00	0.00
2	A'	2278	2278	0.00	91.52	0.74	0.85
3	A'	1050	1050	0.00	7.38	0.73	0.84
4	A'	991	991	0.00	8.61	0.74	0.85
5	A'	672	672	0.00	0.31	0.26	0.41
6	A'	482	482	0.00	17.36	0.06	0.11
7	A"	2279	2279	479.54	0.00	0.75	0.86
8	A"	975	975	205.31	0.00	0.75	0.86
9	A"	754	754	118.80	0.00	0.75	0.86
10	A"	182	182	1.41	0.00	0.75	0.86
11	A"	86	86	0.03	0.00	0.75	0.86
12	E'	2289	2289	289.38	68.67	0.75	0.86
12	E'	2289	2289	289.45	68.66	0.75	0.86
13	E'	2275	2275	79.21	3.76	0.75	0.86
13	E'	2275	2275	79.18	3.77	0.75	0.86
14	E'	1020	1020	41.18	4.91	0.75	0.86
14	E'	1020	1020	41.21	4.91	0.75	0.86
15	E'	999	999	190.10	8.24	0.75	0.86
15	E'	999	999	190.14	8.24	0.75	0.86
16	E'	968	968	727.67	15.87	0.75	0.86
16	E'	968	968	727.67	15.87	0.75	0.86
17	E'	704	704	3.82	11.73	0.75	0.86
17	E'	704	704	3.83	11.74	0.75	0.86
18	E'	181	181	0.41	0.21	0.75	0.86
18	E'	181	181	0.41	0.21	0.75	0.86
19	E"	2276	2276	0.00	126.05	0.75	0.86
19	E"	2276	2276	0.00	126.06	0.75	0.86
20	E"	972	972	0.00	19.78	0.75	0.86
20	E"	972	972	0.00	19.78	0.75	0.86
21	E"	702	702	0.00	11.40	0.75	0.86
21	E"	702	702	0.00	11.40	0.75	0.86
22	E"	79	79	0.00	0.88	0.75	0.86
22	E"	78	78	0.00	0.88	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	-1.412	2.197	0.000
H6	-1.196	-2.322	0.000
H7	2.609	0.125	0.000
H8	0.680	2.295	1.198
H9	0.680	2.295	-1.198
H10	-2.328	-0.558	1.198
H11	-2.328	-0.558	-1.198
H12	1.647	-1.737	1.198
H13	1.647	-1.737	-1.198

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7543	1.7543	1.7543	2.6116	2.6116	2.6116	2.6769	2.6769	2.6769	2.6769	2.6769	2.6769
Si2	1.7543		3.0385	3.0385	1.4801	4.2477	3.0757	1.4802	1.4802	3.4932	3.4932	4.0420	4.0420
Si3	1.7543	3.0385		3.0385	3.0757	1.4801	4.2477	4.0420	4.0420	1.4802	1.4802	3.4932	3.4932
Si4	1.7543	3.0385	3.0385		4.2477	3.0757	1.4801	3.4932	3.4932	4.0420	4.0420	1.4802	1.4802
H5	2.6116	1.4801	3.0757	4.2477		4.5234	4.5234	2.4136	2.4136	3.1405	3.1405	5.1255	5.1255
H6	2.6116	4.2477	1.4801	3.0757	4.5234		4.5234	5.1255	5.1255	2.4136	2.4136	3.1405	3.1405
H7	2.6116	3.0757	4.2477	1.4801	4.5234	4.5234		3.1405	3.1405	5.1255	5.1255	2.4136	2.4136
H8	2.6769	1.4802	4.0420	3.4932	2.4136	5.1255	3.1405		2.3961	4.1463	4.7889	4.1463	4.7889
H9	2.6769	1.4802	4.0420	3.4932	2.4136	5.1255	3.1405	2.3961		4.7889	4.1463	4.7889	4.1463
H10	2.6769	3.4932	1.4802	4.0420	3.1405	2.4136	5.1255	4.1463	4.7889		2.3961	4.1463	4.7889
H11	2.6769	3.4932	1.4802	4.0420	3.1405	2.4136	5.1255	4.7889	4.1463	2.3961		4.7889	4.1463
H12	2.6769	4.0420	3.4932	1.4802	5.1255	3.1405	2.4136	4.1463	4.7889	4.1463	4.7889		2.3961
H13	2.6769	4.0420	3.4932	1.4802	5.1255	3.1405	2.4136	4.7889	4.1463	4.7889	4.1463	2.3961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.392	N1	Si2	H8	111.432
N1	Si2	H9	111.432	N1	Si3	H6	107.392
N1	Si3	H10	111.433	N1	Si3	H11	111.433
N1	Si4	H7	107.392	N1	Si4	H12	111.433
N1	Si4	H13	111.433	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.238	H5	Si2	H9	109.238
H6	Si3	H10	109.238	H6	Si3	H11	109.238
H7	Si4	H12	109.238	H7	Si4	H13	109.238
H8	Si2	H9	108.075	H10	Si3	H11	108.074
H12	Si4	H13	108.075

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

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

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	-1.214
2	Si	0.774
3	Si	0.774
4	Si	0.774
5	H	-0.126
6	H	-0.126
7	H	-0.126
8	H	-0.122
9	H	-0.122
10	H	-0.122
11	H	-0.122
12	H	-0.122
13	H	-0.122

<r²>	225.372
(<r²>)^1/2	15.012

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

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

States and conformations

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