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	hartrees
Energy at 0K	-928.191501
Energy at 298.15K
HF Energy	-928.025502
Nuclear repulsion energy	290.575365

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'	2290	2290	0.00	554.37	0.00	0.00
2	A'	2277	2277	0.00	78.71	0.66	0.79
3	A'	1064	1064	0.00	14.96	0.75	0.86
4	A'	994	994	0.00	15.23	0.75	0.86
5	A'	673	673	0.00	1.21	0.04	0.07
6	A'	487	487	0.00	15.09	0.08	0.14
7	A"	2278	2278	500.40	0.00	0.75	0.86
8	A"	977	977	226.25	0.00	0.75	0.86
9	A"	756	756	122.35	0.00	0.75	0.86
10	A"	178	178	1.20	0.00	0.75	0.86
11	A"	86	86	0.01	0.00	0.75	0.86
12	E'	2289	2289	290.11	57.88	0.75	0.86
12	E'	2289	2289	290.18	57.87	0.75	0.86
13	E'	2273	2273	82.88	3.36	0.75	0.86
13	E'	2273	2273	82.85	3.36	0.75	0.86
14	E'	1026	1026	35.34	6.37	0.75	0.86
14	E'	1026	1026	35.32	6.37	0.75	0.86
15	E'	1003	1003	258.01	5.69	0.75	0.86
15	E'	1003	1003	258.03	5.69	0.75	0.86
16	E'	974	974	678.80	23.52	0.75	0.86
16	E'	974	974	678.82	23.52	0.75	0.86
17	E'	704	704	3.14	12.86	0.75	0.86
17	E'	704	704	3.14	12.86	0.75	0.86
18	E'	182	182	0.47	0.13	0.75	0.86
18	E'	182	182	0.47	0.13	0.75	0.86
19	E"	2274	2274	0.00	96.51	0.75	0.86
19	E"	2274	2274	0.00	96.51	0.75	0.86
20	E"	971	971	0.00	24.86	0.75	0.86
20	E"	971	971	0.00	24.86	0.75	0.86
21	E"	705	705	0.00	13.43	0.75	0.86
21	E"	705	705	0.00	13.44	0.75	0.86
22	E"	77	77	0.00	0.64	0.75	0.86
22	E"	77	77	0.00	0.64	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	-1.413	2.195	0.000
H6	-1.194	-2.321	0.000
H7	2.607	0.126	0.000
H8	0.677	2.301	1.197
H9	0.677	2.301	-1.197
H10	-2.331	-0.564	1.197
H11	-2.331	-0.564	-1.197
H12	1.654	-1.737	1.197
H13	1.654	-1.737	-1.197

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7512	1.7511	1.7511	2.6099	2.6099	2.6099	2.6805	2.6805	2.6805	2.6805	2.6805	2.6805
Si2	1.7512		3.0331	3.0331	1.4806	4.2434	3.0719	1.4810	1.4810	3.4966	3.4966	4.0417	4.0417
Si3	1.7511	3.0331		3.0331	3.0719	1.4806	4.2434	4.0417	4.0417	1.4810	1.4810	3.4966	3.4966
Si4	1.7511	3.0331	3.0331		4.2434	3.0719	1.4806	3.4966	3.4966	4.0417	4.0417	1.4810	1.4810
H5	2.6099	1.4806	3.0719	4.2434		4.5206	4.5206	2.4108	2.4108	3.1440	3.1440	5.1278	5.1278
H6	2.6099	4.2434	1.4806	3.0719	4.5206		4.5206	5.1278	5.1278	2.4108	2.4108	3.1440	3.1440
H7	2.6099	3.0719	4.2434	1.4806	4.5206	4.5206		3.1440	3.1440	5.1278	5.1278	2.4108	2.4108
H8	2.6805	1.4810	4.0417	3.4966	2.4108	5.1278	3.1440		2.3935	4.1544	4.7946	4.1544	4.7946
H9	2.6805	1.4810	4.0417	3.4966	2.4108	5.1278	3.1440	2.3935		4.7946	4.1544	4.7946	4.1544
H10	2.6805	3.4966	1.4810	4.0417	3.1440	2.4108	5.1278	4.1544	4.7946		2.3935	4.1544	4.7946
H11	2.6805	3.4966	1.4810	4.0417	3.1440	2.4108	5.1278	4.7946	4.1544	2.3935		4.7946	4.1544
H12	2.6805	4.0417	3.4966	1.4810	5.1278	3.1440	2.4108	4.1544	4.7946	4.1544	4.7946		2.3935
H13	2.6805	4.0417	3.4966	1.4810	5.1278	3.1440	2.4108	4.7946	4.1544	4.7946	4.1544	2.3935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.428	N1	Si2	H8	111.790
N1	Si2	H9	111.790	N1	Si3	H6	107.428
N1	Si3	H10	111.790	N1	Si3	H11	111.790
N1	Si4	H7	107.428	N1	Si4	H12	111.790
N1	Si4	H13	111.790	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	108.980	H5	Si2	H9	108.980
H6	Si3	H10	108.980	H6	Si3	H11	108.980
H7	Si4	H12	108.980	H7	Si4	H13	108.980
H8	Si2	H9	107.817	H10	Si3	H11	107.817
H12	Si4	H13	107.817

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

using model chemistry: B2PLYP=FULLultrafine/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	-0.888
2	Si	0.671
3	Si	0.671
4	Si	0.671
5	H	-0.130
6	H	-0.130
7	H	-0.130
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>	224.425
(<r²>)^1/2	14.981

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

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

States and conformations

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