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	hartrees
Energy at 0K	-928.842112
Energy at 298.15K
HF Energy	-928.842112
Nuclear repulsion energy	291.522381

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'	2236	2167	0.00	806.48	0.00	0.00
2	A'	2219	2150	0.00	76.38	0.74	0.85
3	A'	1030	998	0.00	2.60	0.74	0.85
4	A'	970	940	0.00	6.24	0.75	0.86
5	A'	659	638	0.00	0.44	0.17	0.29
6	A'	484	468	0.00	18.25	0.05	0.09
7	A"	2221	2151	385.27	0.00	0.75	0.86
8	A"	954	924	171.06	0.00	0.75	0.86
9	A"	749	725	106.26	0.00	0.75	0.86
10	A"	179	173	0.29	0.00	0.75	0.86
11	A"	104	100	0.31	0.00	0.75	0.86
12	E'	2230	2161	255.24	57.26	0.75	0.86
12	E'	2230	2161	255.27	57.27	0.75	0.86
13	E'	2221	2152	42.47	8.14	0.75	0.86
13	E'	2221	2152	42.48	8.16	0.75	0.86
14	E'	1008	976	42.40	2.60	0.75	0.86
14	E'	1008	976	42.38	2.60	0.75	0.86
15	E'	978	947	194.57	5.83	0.75	0.86
15	E'	978	947	194.56	5.83	0.75	0.86
16	E'	951	921	607.72	5.72	0.75	0.86
16	E'	951	921	607.80	5.71	0.75	0.86
17	E'	694	672	2.16	6.67	0.75	0.86
17	E'	694	672	2.17	6.67	0.75	0.86
18	E'	180	174	0.49	0.12	0.75	0.86
18	E'	179	174	0.49	0.12	0.75	0.86
19	E"	2218	2149	0.00	119.01	0.75	0.86
19	E"	2218	2149	0.00	119.05	0.75	0.86
20	E"	952	922	0.00	11.62	0.75	0.86
20	E"	952	922	0.00	11.63	0.75	0.86
21	E"	695	673	0.00	5.96	0.75	0.86
21	E"	695	673	0.00	5.95	0.75	0.86
22	E"	82	79	0.00	0.14	0.75	0.86
22	E"	82	79	0.00	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.744	0.000
Si3	-1.510	-0.872	0.000
Si4	1.510	-0.872	0.000
H5	-1.413	2.190	0.000
H6	-1.190	-2.319	0.000
H7	2.603	0.129	0.000
H8	0.680	2.287	1.199
H9	0.680	2.287	-1.199
H10	-2.320	-0.555	1.199
H11	-2.320	-0.555	-1.199
H12	1.641	-1.732	1.199
H13	1.641	-1.732	-1.199

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7440	1.7440	1.7440	2.6061	2.6061	2.6061	2.6702	2.6702	2.6702	2.6702	2.6702	2.6702
Si2	1.7440		3.0208	3.0208	1.4815	4.2333	3.0635	1.4814	1.4814	3.4795	3.4795	4.0267	4.0267
Si3	1.7440	3.0208		3.0208	3.0635	1.4815	4.2333	4.0267	4.0267	1.4814	1.4814	3.4795	3.4795
Si4	1.7440	3.0208	3.0208		4.2333	3.0635	1.4815	3.4795	3.4795	4.0267	4.0267	1.4814	1.4814
H5	2.6061	1.4815	3.0635	4.2333		4.5139	4.5139	2.4138	2.4138	3.1296	3.1296	5.1132	5.1132
H6	2.6061	4.2333	1.4815	3.0635	4.5139		4.5139	5.1132	5.1132	2.4138	2.4138	3.1296	3.1296
H7	2.6061	3.0635	4.2333	1.4815	4.5139	4.5139		3.1296	3.1296	5.1132	5.1132	2.4138	2.4138
H8	2.6702	1.4814	4.0267	3.4795	2.4138	5.1132	3.1296		2.3981	4.1325	4.7779	4.1325	4.7779
H9	2.6702	1.4814	4.0267	3.4795	2.4138	5.1132	3.1296	2.3981		4.7779	4.1325	4.7779	4.1325
H10	2.6702	3.4795	1.4814	4.0267	3.1296	2.4138	5.1132	4.1325	4.7779		2.3981	4.1325	4.7779
H11	2.6702	3.4795	1.4814	4.0267	3.1296	2.4138	5.1132	4.7779	4.1325	2.3981		4.7779	4.1325
H12	2.6702	4.0267	3.4795	1.4814	5.1132	3.1296	2.4138	4.1325	4.7779	4.1325	4.7779		2.3981
H13	2.6702	4.0267	3.4795	1.4814	5.1132	3.1296	2.4138	4.7779	4.1325	4.7779	4.1325	2.3981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.514	N1	Si2	H8	111.499
N1	Si2	H9	111.499	N1	Si3	H6	107.514
N1	Si3	H10	111.499	N1	Si3	H11	111.499
N1	Si4	H7	107.514	N1	Si4	H12	111.499
N1	Si4	H13	111.499	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.107	H5	Si2	H9	109.107
H6	Si3	H10	109.107	H6	Si3	H11	109.107
H7	Si4	H12	109.107	H7	Si4	H13	109.107
H8	Si2	H9	108.071	H10	Si3	H11	108.071
H12	Si4	H13	108.071

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

using model chemistry: B3LYP/cc-pVQZ

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	-0.800
2	Si	0.434
3	Si	0.434
4	Si	0.434
5	H	-0.052
6	H	-0.052
7	H	-0.052
8	H	-0.058
9	H	-0.058
10	H	-0.058
11	H	-0.058
12	H	-0.058
13	H	-0.058

<r²>	223.427
(<r²>)^1/2	14.947

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

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