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	hartrees
Energy at 0K	-928.257912
Energy at 298.15K
HF Energy	-928.053650
Nuclear repulsion energy	292.418120

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'	2268	2268	0.00	533.71	0.00	0.00
2	A'	2253	2253	0.01	64.51	0.68	0.81
3	A'	1047	1047	0.00	4.74	0.75	0.86
4	A'	985	985	0.00	9.96	0.75	0.86
5	A'	663	663	0.00	1.01	0.06	0.11
6	A'	491	491	0.00	15.20	0.06	0.11
7	A"	2256	2256	363.73	0.00	0.75	0.86
8	A"	968	968	176.52	0.00	0.75	0.86
9	A"	750	750	103.02	0.00	0.75	0.86
10	A"	181	181	0.46	0.00	0.75	0.86
11	A"	101	101	0.20	0.00	0.75	0.86
12	E'	2264	2264	242.64	50.75	0.75	0.86
12	E'	2264	2264	242.71	50.75	0.75	0.86
13	E'	2253	2253	45.97	1.28	0.75	0.86
13	E'	2253	2253	45.94	1.27	0.75	0.86
14	E'	1024	1024	72.48	2.79	0.75	0.86
14	E'	1024	1024	72.47	2.79	0.75	0.86
15	E'	995	995	211.92	4.58	0.75	0.86
15	E'	995	995	211.98	4.58	0.75	0.86
16	E'	964	964	564.49	9.59	0.75	0.86
16	E'	964	964	564.64	9.59	0.75	0.86
17	E'	702	702	1.25	9.60	0.75	0.86
17	E'	702	702	1.25	9.60	0.75	0.86
18	E'	177	177	0.50	0.10	0.75	0.86
18	E'	177	177	0.50	0.10	0.75	0.86
19	E"	2253	2253	0.00	85.76	0.75	0.86
19	E"	2253	2253	0.00	85.76	0.75	0.86
20	E"	965	965	0.00	14.85	0.75	0.86
20	E"	965	965	0.00	14.85	0.75	0.86
21	E"	699	699	0.00	8.98	0.75	0.86
21	E"	699	699	0.00	8.98	0.75	0.86
22	E"	81	81	0.00	0.30	0.75	0.86
22	E"	81	81	0.00	0.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.738	0.000
Si3	-1.505	-0.869	0.000
Si4	1.505	-0.869	0.000
H5	-1.413	2.180	0.000
H6	-1.181	-2.313	0.000
H7	2.594	0.133	0.000
H8	0.678	2.283	1.197
H9	0.678	2.283	-1.197
H10	-2.316	-0.554	1.197
H11	-2.316	-0.554	-1.197
H12	1.638	-1.729	1.197
H13	1.638	-1.729	-1.197

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7377	1.7377	1.7377	2.5976	2.5976	2.5976	2.6653	2.6653	2.6653	2.6653	2.6653	2.6653
Si2	1.7377		3.0098	3.0098	1.4802	4.2198	3.0501	1.4797	1.4797	3.4711	3.4711	4.0165	4.0165
Si3	1.7377	3.0098		3.0098	3.0501	1.4802	4.2198	4.0165	4.0165	1.4797	1.4797	3.4711	3.4711
Si4	1.7377	3.0098	3.0098		4.2198	3.0501	1.4802	3.4711	3.4711	4.0165	4.0165	1.4797	1.4797
H5	2.5976	1.4802	3.0501	4.2198		4.4992	4.4992	2.4114	2.4114	3.1181	3.1181	5.1006	5.1006
H6	2.5976	4.2198	1.4802	3.0501	4.4992		4.4992	5.1006	5.1006	2.4114	2.4114	3.1181	3.1181
H7	2.5976	3.0501	4.2198	1.4802	4.4992	4.4992		3.1181	3.1181	5.1006	5.1006	2.4114	2.4114
H8	2.6653	1.4797	4.0165	3.4711	2.4114	5.1006	3.1181		2.3935	4.1249	4.7690	4.1249	4.7690
H9	2.6653	1.4797	4.0165	3.4711	2.4114	5.1006	3.1181	2.3935		4.7690	4.1249	4.7690	4.1249
H10	2.6653	3.4711	1.4797	4.0165	3.1181	2.4114	5.1006	4.1249	4.7690		2.3935	4.1249	4.7690
H11	2.6653	3.4711	1.4797	4.0165	3.1181	2.4114	5.1006	4.7690	4.1249	2.3935		4.7690	4.1249
H12	2.6653	4.0165	3.4711	1.4797	5.1006	3.1181	2.4114	4.1249	4.7690	4.1249	4.7690		2.3935
H13	2.6653	4.0165	3.4711	1.4797	5.1006	3.1181	2.4114	4.7690	4.1249	4.7690	4.1249	2.3935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.380	N1	Si2	H8	111.617
N1	Si2	H9	111.617	N1	Si3	H6	107.380
N1	Si3	H10	111.617	N1	Si3	H11	111.617
N1	Si4	H7	107.380	N1	Si4	H12	111.618
N1	Si4	H13	111.618	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.114	H5	Si2	H9	109.114
H6	Si3	H10	109.114	H6	Si3	H11	109.114
H7	Si4	H12	109.114	H7	Si4	H13	109.114
H8	Si2	H9	107.954	H10	Si3	H11	107.954
H12	Si4	H13	107.954

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

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