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	hartrees
Energy at 0K	-927.955018
Energy at 298.15K
HF Energy	-927.955018
Nuclear repulsion energy	282.583936

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'	2118	2089	0.00	172.97	0.19	0.31
2	A'	2099	2070	0.00	619.37	0.01	0.03
3	A'	953	940	0.00	33.47	0.74	0.85
4	A'	900	888	0.00	13.85	0.74	0.85
5	A'	602	594	0.00	1.03	0.00	0.00
6	A'	444	438	0.00	24.28	0.09	0.17
7	A"	2100	2071	510.26	0.00	0.75	0.86
8	A"	880	868	137.15	0.00	0.75	0.86
9	A"	676	667	115.71	0.00	0.75	0.86
10	A"	206	203	3.36	0.00	0.75	0.86
11	A"	74i	73i	0.05	0.00	0.75	0.86
12	E'	2127	2098	222.17	79.69	0.75	0.86
12	E'	2127	2098	222.20	79.70	0.75	0.86
13	E'	2082	2053	169.57	13.64	0.75	0.86
13	E'	2082	2053	169.58	13.64	0.75	0.86
14	E'	942	929	34.41	3.43	0.75	0.86
14	E'	942	929	34.41	3.43	0.75	0.86
15	E'	911	898	225.38	19.36	0.75	0.86
15	E'	911	898	225.38	19.36	0.75	0.86
16	E'	876	863	458.41	41.46	0.75	0.86
16	E'	876	863	458.44	41.44	0.75	0.86
17	E'	640	631	2.60	16.20	0.75	0.86
17	E'	640	631	2.60	16.20	0.75	0.86
18	E'	183	181	0.17	0.23	0.75	0.86
18	E'	183	181	0.17	0.23	0.75	0.86
19	E"	2095	2066	0.00	137.86	0.75	0.86
19	E"	2095	2066	0.00	137.86	0.75	0.86
20	E"	877	865	0.00	39.27	0.75	0.86
20	E"	877	865	0.00	39.26	0.75	0.86
21	E"	631	622	0.00	19.44	0.75	0.86
21	E"	631	622	0.00	19.44	0.75	0.86
22	E"	40	39	0.00	1.19	0.75	0.86
22	E"	40	39	0.00	1.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.802	0.000
Si3	-1.561	-0.901	0.000
Si4	1.561	-0.901	0.000
H5	-1.445	2.256	0.000
H6	-1.231	-2.380	0.000
H7	2.677	0.124	0.000
H8	0.695	2.371	1.225
H9	0.695	2.371	-1.225
H10	-2.401	-0.584	1.225
H11	-2.401	-0.584	-1.225
H12	1.706	-1.787	1.225
H13	1.706	-1.787	-1.225

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.8021	1.8021	1.8021	2.6796	2.6796	2.6796	2.7575	2.7575	2.7575	2.7575	2.7575	2.7575
Si2	1.8021		3.1213	3.1213	1.5150	4.3595	3.1595	1.5185	1.5185	3.5994	3.5994	4.1585	4.1585
Si3	1.8021	3.1213		3.1213	3.1595	1.5150	4.3595	4.1585	4.1585	1.5185	1.5185	3.5994	3.5994
Si4	1.8021	3.1213	3.1213		4.3595	3.1595	1.5150	3.5994	3.5994	4.1585	4.1585	1.5185	1.5185
H5	2.6796	1.5150	3.1595	4.3595		4.6412	4.6412	2.4684	2.4684	3.2370	3.2370	5.2707	5.2707
H6	2.6796	4.3595	1.5150	3.1595	4.6412		4.6412	5.2707	5.2707	2.4684	2.4684	3.2370	3.2370
H7	2.6796	3.1595	4.3595	1.5150	4.6412	4.6412		3.2370	3.2370	5.2707	5.2707	2.4684	2.4684
H8	2.7575	1.5185	4.1585	3.5994	2.4684	5.2707	3.2370		2.4492	4.2793	4.9306	4.2793	4.9306
H9	2.7575	1.5185	4.1585	3.5994	2.4684	5.2707	3.2370	2.4492		4.9306	4.2793	4.9306	4.2793
H10	2.7575	3.5994	1.5185	4.1585	3.2370	2.4684	5.2707	4.2793	4.9306		2.4492	4.2793	4.9306
H11	2.7575	3.5994	1.5185	4.1585	3.2370	2.4684	5.2707	4.9306	4.2793	2.4492		4.9306	4.2793
H12	2.7575	4.1585	3.5994	1.5185	5.2707	3.2370	2.4684	4.2793	4.9306	4.2793	4.9306		2.4492
H13	2.7575	4.1585	3.5994	1.5185	5.2707	3.2370	2.4684	4.9306	4.2793	4.9306	4.2793	2.4492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.446	N1	Si2	H8	111.999
N1	Si2	H9	111.999	N1	Si3	H6	107.446
N1	Si3	H10	111.999	N1	Si3	H11	111.999
N1	Si4	H7	107.446	N1	Si4	H12	111.999
N1	Si4	H13	111.999	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	108.917	H5	Si2	H9	108.917
H6	Si3	H10	108.917	H6	Si3	H11	108.917
H7	Si4	H12	108.917	H7	Si4	H13	108.917
H8	Si2	H9	107.496	H10	Si3	H11	107.496
H12	Si4	H13	107.496

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

using model chemistry: PBEPBE/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	-1.129
2	Si	0.634
3	Si	0.634
4	Si	0.634
5	H	-0.091
6	H	-0.091
7	H	-0.091
8	H	-0.083
9	H	-0.083
10	H	-0.083
11	H	-0.083
12	H	-0.083
13	H	-0.083

	x	y	z
x	12.251	-0.000	0.000
y	-0.000	12.251	0.000
z	0.000	0.000	9.729

<r²>	235.918
(<r²>)^1/2	15.360

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

using model chemistry: PBEPBE/6-31G

States and conformations

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