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	hartrees
Energy at 0K	-928.673405
Energy at 298.15K
HF Energy	-928.673405
Nuclear repulsion energy	287.623016

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'	2175	2166	0.00	731.52	0.00	0.00
2	A'	2165	2156	0.00	137.10	0.40	0.57
3	A'	1010	1006	0.00	14.36	0.74	0.85
4	A'	945	941	0.00	12.35	0.74	0.85
5	A'	638	636	0.00	1.02	0.09	0.17
6	A'	463	461	0.00	18.59	0.08	0.15
7	A"	2162	2154	404.86	0.00	0.75	0.86
8	A"	926	923	182.15	0.00	0.75	0.86
9	A"	718	715	109.93	0.00	0.75	0.86
10	A"	188	187	0.86	0.00	0.75	0.86
11	A"	77	77	0.14	0.00	0.75	0.86
12	E'	2176	2167	223.54	76.18	0.75	0.86
12	E'	2176	2167	223.59	76.19	0.75	0.86
13	E'	2158	2149	88.67	7.92	0.75	0.86
13	E'	2158	2149	88.66	7.92	0.75	0.86
14	E'	971	967	29.65	7.41	0.75	0.86
14	E'	971	967	29.66	7.41	0.75	0.86
15	E'	950	946	150.93	11.94	0.75	0.86
15	E'	950	946	150.93	11.94	0.75	0.86
16	E'	921	917	686.60	19.87	0.75	0.86
16	E'	921	917	686.67	19.86	0.75	0.86
17	E'	669	667	5.06	14.32	0.75	0.86
17	E'	669	667	5.06	14.32	0.75	0.86
18	E'	182	181	0.56	0.20	0.75	0.86
18	E'	182	181	0.56	0.20	0.75	0.86
19	E"	2159	2151	0.00	145.39	0.75	0.86
19	E"	2159	2151	0.00	145.38	0.75	0.86
20	E"	923	920	0.00	28.11	0.75	0.86
20	E"	923	920	0.00	28.12	0.75	0.86
21	E"	673	670	0.00	17.01	0.75	0.86
21	E"	673	670	0.00	17.01	0.75	0.86
22	E"	73	73	0.00	0.53	0.75	0.86
22	E"	73	73	0.00	0.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.770	0.000
Si3	-1.533	-0.885	0.000
Si4	1.533	-0.885	0.000
H5	-1.426	2.216	0.000
H6	-1.206	-2.343	0.000
H7	2.632	0.127	0.000
H8	0.682	2.325	1.209
H9	0.682	2.325	-1.209
H10	-2.355	-0.572	1.209
H11	-2.355	-0.572	-1.209
H12	1.673	-1.753	1.209
H13	1.673	-1.753	-1.209

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7696	1.7696	1.7696	2.6351	2.6351	2.6351	2.7079	2.7079	2.7079	2.7079	2.7079	2.7079
Si2	1.7696		3.0651	3.0651	1.4940	4.2856	3.1027	1.4947	1.4947	3.5341	3.5341	4.0827	4.0827
Si3	1.7696	3.0651		3.0651	3.1027	1.4940	4.2856	4.0827	4.0827	1.4947	1.4947	3.5341	3.5341
Si4	1.7696	3.0651	3.0651		4.2856	3.1027	1.4940	3.5341	3.5341	4.0827	4.0827	1.4947	1.4947
H5	2.6351	1.4940	3.1027	4.2856		4.5640	4.5640	2.4318	2.4318	3.1778	3.1778	5.1785	5.1785
H6	2.6351	4.2856	1.4940	3.1027	4.5640		4.5640	5.1785	5.1785	2.4318	2.4318	3.1778	3.1778
H7	2.6351	3.1027	4.2856	1.4940	4.5640	4.5640		3.1778	3.1778	5.1785	5.1785	2.4318	2.4318
H8	2.7079	1.4947	4.0827	3.5341	2.4318	5.1785	3.1778		2.4171	4.1972	4.8434	4.1972	4.8434
H9	2.7079	1.4947	4.0827	3.5341	2.4318	5.1785	3.1778	2.4171		4.8434	4.1972	4.8434	4.1972
H10	2.7079	3.5341	1.4947	4.0827	3.1778	2.4318	5.1785	4.1972	4.8434		2.4171	4.1972	4.8434
H11	2.7079	3.5341	1.4947	4.0827	3.1778	2.4318	5.1785	4.8434	4.1972	2.4171		4.8434	4.1972
H12	2.7079	4.0827	3.5341	1.4947	5.1785	3.1778	2.4318	4.1972	4.8434	4.1972	4.8434		2.4171
H13	2.7079	4.0827	3.5341	1.4947	5.1785	3.1778	2.4318	4.8434	4.1972	4.8434	4.1972	2.4171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.386	N1	Si2	H8	111.828
N1	Si2	H9	111.828	N1	Si3	H6	107.386
N1	Si3	H10	111.828	N1	Si3	H11	111.828
N1	Si4	H7	107.386	N1	Si4	H12	111.828
N1	Si4	H13	111.828	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	108.913	H5	Si2	H9	108.913
H6	Si3	H10	108.913	H6	Si3	H11	108.913
H7	Si4	H12	108.913	H7	Si4	H13	108.913
H8	Si2	H9	107.908	H10	Si3	H11	107.908
H12	Si4	H13	107.908

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

using model chemistry: BLYP/6-311G**

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	-1.047
2	Si	0.735
3	Si	0.735
4	Si	0.735
5	H	-0.132
6	H	-0.132
7	H	-0.132
8	H	-0.127
9	H	-0.127
10	H	-0.127
11	H	-0.127
12	H	-0.127
13	H	-0.127

<r²>	229.087
(<r²>)^1/2	15.136

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

using model chemistry: BLYP/6-311G**

States and conformations

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