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	hartrees
Energy at 0K	-928.243801
Energy at 298.15K
HF Energy	-928.061952
Nuclear repulsion energy	287.572602

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'	2242	2157	0.02	894.93	0.00	0.00
2	A'	2233	2148	0.00	72.81	0.75	0.86
3	A'	1019	981	0.00	2.06	0.73	0.84
4	A'	965	928	0.00	5.95	0.75	0.86
5	A'	659	633	0.00	0.23	0.21	0.34
6	A'	471	453	0.00	22.67	0.05	0.09
7	A"	2234	2149	375.66	0.00	0.75	0.86
8	A"	950	914	166.64	0.00	0.75	0.86
9	A"	728	701	106.52	0.00	0.75	0.86
10	A"	166	160	0.98	0.00	0.75	0.86
11	A"	89	86	0.02	0.00	0.75	0.86
12	E'	2243	2158	222.62	65.55	0.75	0.86
12	E'	2243	2158	222.80	65.45	0.75	0.86
13	E'	2229	2144	72.20	4.44	0.75	0.86
13	E'	2229	2144	72.31	4.43	0.75	0.86
14	E'	993	955	20.47	2.26	0.75	0.86
14	E'	993	955	20.53	2.26	0.75	0.86
15	E'	970	933	141.07	8.63	0.75	0.86
15	E'	970	933	141.11	8.63	0.75	0.86
16	E'	939	903	672.00	4.45	0.75	0.86
16	E'	939	903	672.00	4.45	0.75	0.86
17	E'	686	660	4.33	5.18	0.75	0.86
17	E'	686	660	4.33	5.18	0.75	0.86
18	E'	177	170	0.54	0.25	0.75	0.86
18	E'	176	170	0.54	0.25	0.75	0.86
19	E"	2231	2146	0.00	125.51	0.75	0.86
19	E"	2231	2146	0.00	125.50	0.75	0.86
20	E"	952	915	0.02	11.41	0.75	0.86
20	E"	952	915	0.00	11.41	0.75	0.86
21	E"	691	664	0.00	4.26	0.75	0.86
21	E"	691	664	0.00	4.26	0.75	0.86
22	E"	85	82	0.00	0.11	0.75	0.86
22	E"	85	82	0.00	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.772	0.000
Si3	-1.535	-0.886	0.000
Si4	1.535	-0.886	0.000
H5	-1.424	2.213	0.000
H6	-1.205	-2.339	0.000
H7	2.628	0.126	0.000
H8	0.687	2.310	1.208
H9	0.687	2.310	-1.208
H10	-2.345	-0.560	1.208
H11	-2.345	-0.560	-1.208
H12	1.657	-1.750	1.208
H13	1.657	-1.750	-1.208

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7724	1.7724	1.7724	2.6314	2.6314	2.6314	2.6962	2.6962	2.6962	2.6962	2.6962	2.6962
Si2	1.7724		3.0699	3.0699	1.4902	4.2847	3.1013	1.4903	1.4903	3.5208	3.5208	4.0763	4.0763
Si3	1.7724	3.0699		3.0699	3.1013	1.4902	4.2847	4.0763	4.0763	1.4903	1.4903	3.5208	3.5208
Si4	1.7724	3.0699	3.0699		4.2847	3.1013	1.4902	3.5208	3.5208	4.0763	4.0763	1.4903	1.4903
H5	2.6314	1.4902	3.1013	4.2847		4.5577	4.5577	2.4340	2.4340	3.1618	3.1618	5.1633	5.1633
H6	2.6314	4.2847	1.4902	3.1013	4.5577		4.5577	5.1633	5.1633	2.4340	2.4340	3.1617	3.1617
H7	2.6314	3.1013	4.2847	1.4902	4.5577	4.5577		3.1617	3.1617	5.1633	5.1633	2.4340	2.4340
H8	2.6962	1.4903	4.0763	3.5208	2.4340	5.1633	3.1617		2.4158	4.1750	4.8236	4.1750	4.8236
H9	2.6962	1.4903	4.0763	3.5208	2.4340	5.1633	3.1617	2.4158		4.8236	4.1750	4.8236	4.1750
H10	2.6962	3.5208	1.4903	4.0763	3.1618	2.4340	5.1633	4.1750	4.8236		2.4158	4.1750	4.8236
H11	2.6962	3.5208	1.4903	4.0763	3.1618	2.4340	5.1633	4.8236	4.1750	2.4158		4.8236	4.1750
H12	2.6962	4.0763	3.5208	1.4903	5.1633	3.1617	2.4340	4.1750	4.8236	4.1750	4.8236		2.4158
H13	2.6962	4.0763	3.5208	1.4903	5.1633	3.1617	2.4340	4.8236	4.1750	4.8236	4.1750	2.4158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.198	N1	Si2	H8	111.160
N1	Si2	H9	111.160	N1	Si3	H6	107.198
N1	Si3	H10	111.160	N1	Si3	H11	111.160
N1	Si4	H7	107.198	N1	Si4	H12	111.160
N1	Si4	H13	111.160	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.503	H5	Si2	H9	109.503
H6	Si3	H10	109.503	H6	Si3	H11	109.503
H7	Si4	H12	109.504	H7	Si4	H13	109.504
H8	Si2	H9	108.298	H10	Si3	H11	108.298
H12	Si4	H13	108.298

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

using model chemistry: B2PLYP=FULL/aug-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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All results from a given calculation for N(SiH3)3 (trisilylamine)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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