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	hartrees
Energy at 0K	-927.225998
Energy at 298.15K
HF Energy	-926.535065
Nuclear repulsion energy	293.327881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2290	2156	0.00
2	A'	2274	2142	0.00
3	A'	1052	991	0.00
4	A'	997	938	0.00
5	A'	668	629	0.00
6	A'	502	473	0.00
7	A"	2280	2147	339.00
8	A"	980	923	183.71
9	A"	760	716	113.30
10	A"	188	177	0.46
11	A"	119	112	0.15
12	E'	2286	2152	224.49
12	E'	2286	2152	224.49
13	E'	2275	2142	42.71
13	E'	2275	2142	42.71
14	E'	1046	985	142.49
14	E'	1046	985	142.49
15	E'	1006	947	185.11
15	E'	1006	947	185.11
16	E'	973	916	543.11
16	E'	973	916	543.11
17	E'	711	669	0.40
17	E'	711	669	0.40
18	E'	179	169	0.51
18	E'	179	169	0.51
19	E"	2277	2144	0.00
19	E"	2277	2144	0.00
20	E"	977	920	0.00
20	E"	977	920	0.00
21	E"	705	664	0.00
21	E"	705	664	0.00
22	E"	91	86	0.00
22	E"	91	86	0.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.732	0.000
Si3	-1.500	-0.866	0.000
Si4	1.500	-0.866	0.000
H5	-1.412	2.171	0.000
H6	-1.175	-2.308	0.000
H7	2.586	0.137	0.000
H8	0.677	2.274	1.196
H9	0.677	2.274	-1.196
H10	-2.308	-0.551	1.196
H11	-2.308	-0.551	-1.196
H12	1.631	-1.724	1.196
H13	1.631	-1.724	-1.196

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7317	1.7317	1.7317	2.5898	2.5898	2.5898	2.6571	2.6571	2.6571	2.6571	2.6571	2.6571
Si2	1.7317		2.9994	2.9994	1.4784	4.2071	3.0384	1.4774	1.4774	3.4592	3.4592	4.0036	4.0036
Si3	1.7317	2.9994		2.9994	3.0384	1.4784	4.2071	4.0036	4.0036	1.4774	1.4774	3.4592	3.4592
Si4	1.7317	2.9994	2.9994		4.2071	3.0384	1.4784	3.4592	3.4592	4.0036	4.0036	1.4774	1.4774
H5	2.5898	1.4784	3.0384	4.2071		4.4856	4.4856	2.4091	2.4091	3.1051	3.1051	5.0849	5.0849
H6	2.5898	4.2071	1.4784	3.0384	4.4856		4.4856	5.0849	5.0849	2.4091	2.4091	3.1051	3.1051
H7	2.5898	3.0384	4.2071	1.4784	4.4856	4.4856		3.1051	3.1051	5.0849	5.0849	2.4091	2.4091
H8	2.6571	1.4774	4.0036	3.4592	2.4091	5.0849	3.1051		2.3914	4.1099	4.7550	4.1099	4.7550
H9	2.6571	1.4774	4.0036	3.4592	2.4091	5.0849	3.1051	2.3914		4.7550	4.1099	4.7550	4.1099
H10	2.6571	3.4592	1.4774	4.0036	3.1051	2.4091	5.0849	4.1099	4.7550		2.3914	4.1099	4.7550
H11	2.6571	3.4592	1.4774	4.0036	3.1051	2.4091	5.0849	4.7550	4.1099	2.3914		4.7550	4.1099
H12	2.6571	4.0036	3.4592	1.4774	5.0849	3.1051	2.4091	4.1099	4.7550	4.1099	4.7550		2.3914
H13	2.6571	4.0036	3.4592	1.4774	5.0849	3.1051	2.4091	4.7550	4.1099	4.7550	4.1099	2.3914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.295	N1	Si2	H8	111.541
N1	Si2	H9	111.541	N1	Si3	H6	107.295
N1	Si3	H10	111.541	N1	Si3	H11	111.541
N1	Si4	H7	107.295	N1	Si4	H12	111.541
N1	Si4	H13	111.541	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.180	H5	Si2	H9	109.180
H6	Si3	H10	109.180	H6	Si3	H11	109.180
H7	Si4	H12	109.180	H7	Si4	H13	109.180
H8	Si2	H9	108.064	H10	Si3	H11	108.064
H12	Si4	H13	108.064

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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