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	hartrees
Energy at 0K	-928.600746
Energy at 298.15K
HF Energy	-928.600746
Nuclear repulsion energy	285.639201

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'	2187	2102	0.00	428.59	0.01	0.02
2	A'	2175	2091	0.00	243.75	0.12	0.22
3	A'	1010	971	0.00	32.63	0.74	0.85
4	A'	962	925	0.00	15.04	0.75	0.86
5	A'	644	619	0.00	1.15	0.02	0.04
6	A'	462	445	0.00	18.49	0.11	0.19
7	A"	2168	2084	404.62	0.00	0.75	0.86
8	A"	946	909	188.44	0.00	0.75	0.86
9	A"	752	723	161.70	0.00	0.75	0.86
10	A"	246	236	3.07	0.00	0.75	0.86
11	A"	58	56	0.22	0.00	0.75	0.86
12	E'	2190	2105	194.61	59.58	0.75	0.86
12	E'	2190	2105	194.64	59.57	0.75	0.86
13	E'	2165	2081	115.41	9.87	0.75	0.86
13	E'	2165	2081	115.41	9.87	0.75	0.86
14	E'	985	947	14.19	6.82	0.75	0.86
14	E'	985	947	14.20	6.82	0.75	0.86
15	E'	966	928	131.08	20.92	0.75	0.86
15	E'	966	928	131.08	20.91	0.75	0.86
16	E'	931	895	706.84	34.30	0.75	0.86
16	E'	931	895	706.88	34.30	0.75	0.86
17	E'	681	655	1.80	17.03	0.75	0.86
17	E'	681	655	1.80	17.03	0.75	0.86
18	E'	210	202	0.23	0.18	0.75	0.86
18	E'	210	202	0.23	0.18	0.75	0.86
19	E"	2164	2080	0.00	109.63	0.75	0.86
19	E"	2164	2080	0.00	109.64	0.75	0.86
20	E"	942	906	0.00	39.35	0.75	0.86
20	E"	942	906	0.00	39.35	0.75	0.86
21	E"	674	648	0.00	20.62	0.75	0.86
21	E"	674	648	0.00	20.62	0.75	0.86
22	E"	61	59	0.00	0.79	0.75	0.86
22	E"	61	59	0.00	0.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.785	0.000
Si3	-1.546	-0.892	0.000
Si4	1.546	-0.892	0.000
H5	-1.423	2.240	0.000
H6	-1.229	-2.352	0.000
H7	2.652	0.112	0.000
H8	0.688	2.338	1.208
H9	0.688	2.338	-1.208
H10	-2.369	-0.573	1.208
H11	-2.369	-0.573	-1.208
H12	1.681	-1.765	1.208
H13	1.681	-1.765	-1.208

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7848	1.7848	1.7848	2.6539	2.6539	2.6539	2.7200	2.7200	2.7200	2.7200	2.7200	2.7200
Si2	1.7848		3.0914	3.0914	1.4940	4.3158	3.1350	1.4962	1.4962	3.5539	3.5539	4.1090	4.1090
Si3	1.7848	3.0914		3.0914	3.1350	1.4940	4.3158	4.1090	4.1090	1.4962	1.4962	3.5539	3.5539
Si4	1.7848	3.0914	3.0914		4.3158	3.1350	1.4940	3.5539	3.5539	4.1090	4.1090	1.4962	1.4962
H5	2.6539	1.4940	3.1350	4.3158		4.5967	4.5967	2.4341	2.4341	3.2045	3.2045	5.2088	5.2088
H6	2.6539	4.3158	1.4940	3.1350	4.5967		4.5967	5.2088	5.2088	2.4341	2.4341	3.2045	3.2045
H7	2.6539	3.1350	4.3158	1.4940	4.5967	4.5967		3.2045	3.2045	5.2088	5.2088	2.4341	2.4341
H8	2.7200	1.4962	4.1090	3.5539	2.4341	5.2088	3.2045		2.4163	4.2210	4.8637	4.2210	4.8637
H9	2.7200	1.4962	4.1090	3.5539	2.4341	5.2088	3.2045	2.4163		4.8637	4.2210	4.8637	4.2210
H10	2.7200	3.5539	1.4962	4.1090	3.2045	2.4341	5.2088	4.2210	4.8637		2.4163	4.2210	4.8637
H11	2.7200	3.5539	1.4962	4.1090	3.2045	2.4341	5.2088	4.8637	4.2210	2.4163		4.8637	4.2210
H12	2.7200	4.1090	3.5539	1.4962	5.2088	3.2045	2.4341	4.2210	4.8637	4.2210	4.8637		2.4163
H13	2.7200	4.1090	3.5539	1.4962	5.2088	3.2045	2.4341	4.8637	4.2210	4.8637	4.2210	2.4163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.744	N1	Si2	H8	111.693
N1	Si2	H9	111.693	N1	Si3	H6	107.744
N1	Si3	H10	111.693	N1	Si3	H11	111.693
N1	Si4	H7	107.744	N1	Si4	H12	111.693
N1	Si4	H13	111.693	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	107.696	H10	Si3	H11	107.696
H12	Si4	H13	107.696

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

using model chemistry: B3LYP/SDD

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	-1.443
2	Si	0.795
3	Si	0.795
4	Si	0.795
5	H	-0.111
6	H	-0.111
7	H	-0.111
8	H	-0.102
9	H	-0.102
10	H	-0.102
11	H	-0.102
12	H	-0.102
13	H	-0.102

<r²>	231.985
(<r²>)^1/2	15.231

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

using model chemistry: B3LYP/SDD

States and conformations

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