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	hartrees
Energy at 0K	-917.349617
Energy at 298.15K
HF Energy	-917.291477
Nuclear repulsion energy	292.933275

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'	2740	2740	0.00	37.75	0.59	0.75
2	A'	2676	2676	0.00	220.19	0.01	0.01
3	A'	1204	1204	0.00	39.66	0.70	0.82
4	A'	1158	1158	0.00	11.44	0.74	0.85
5	A'	754	754	0.00	0.06	0.70	0.82
6	A'	528	528	0.00	9.72	0.11	0.20
7	A"	2711	2711	124.73	0.00	0.75	0.86
8	A"	1141	1141	222.07	0.00	0.75	0.86
9	A"	854	854	265.94	0.00	0.75	0.86
10	A"	199	199	3.14	0.00	0.75	0.86
11	A"	73i	73i	0.08	0.00	0.75	0.86
12	E'	2742	2742	39.65	42.83	0.75	0.86
12	E'	2742	2742	39.65	42.83	0.75	0.86
13	E'	2671	2671	54.28	3.04	0.75	0.86
13	E'	2671	2671	54.28	3.03	0.75	0.86
14	E'	1179	1179	92.51	13.32	0.75	0.86
14	E'	1179	1179	92.51	13.32	0.75	0.86
15	E'	1122	1122	660.00	23.09	0.75	0.86
15	E'	1122	1122	659.98	23.09	0.75	0.86
16	E'	1114	1114	91.92	2.65	0.75	0.86
16	E'	1114	1114	91.92	2.65	0.75	0.86
17	E'	791	791	7.23	8.67	0.75	0.86
17	E'	791	791	7.23	8.67	0.75	0.86
18	E'	225	225	0.82	0.30	0.75	0.86
18	E'	225	225	0.82	0.30	0.75	0.86
19	E"	2709	2709	0.00	72.89	0.75	0.86
19	E"	2709	2709	0.00	72.89	0.75	0.86
20	E"	1138	1138	0.00	28.55	0.75	0.86
20	E"	1138	1138	0.00	28.55	0.75	0.86
21	E"	789	789	0.00	8.11	0.75	0.86
21	E"	789	789	0.00	8.11	0.75	0.86
22	E"	48	48	0.00	0.14	0.75	0.86
22	E"	48	48	0.00	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.745	0.000
Si3	-1.511	-0.872	0.000
Si4	1.511	-0.872	0.000
H5	-1.362	2.214	0.000
H6	-1.236	-2.286	0.000
H7	2.598	0.073	0.000
H8	0.674	2.278	1.161
H9	0.674	2.278	-1.161
H10	-2.309	-0.556	1.161
H11	-2.309	-0.556	-1.161
H12	1.636	-1.722	1.161
H13	1.636	-1.722	-1.161

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7445	1.7445	1.7445	2.5989	2.5989	2.5989	2.6438	2.6438	2.6438	2.6438	2.6438	2.6438
Si2	1.7445		3.0216	3.0216	1.4402	4.2159	3.0894	1.4440	1.4440	3.4600	3.4600	4.0053	4.0053
Si3	1.7445	3.0216		3.0216	3.0894	1.4402	4.2159	4.0053	4.0053	1.4440	1.4440	3.4600	3.4600
Si4	1.7445	3.0216	3.0216		4.2159	3.0894	1.4402	3.4600	3.4600	4.0053	4.0053	1.4440	1.4440
H5	2.5989	1.4402	3.0894	4.2159		4.5014	4.5014	2.3439	2.3439	3.1485	3.1485	5.0817	5.0817
H6	2.5989	4.2159	1.4402	3.0894	4.5014		4.5014	5.0817	5.0817	2.3439	2.3439	3.1485	3.1485
H7	2.5989	3.0894	4.2159	1.4402	4.5014	4.5014		3.1485	3.1485	5.0817	5.0817	2.3439	2.3439
H8	2.6438	1.4440	4.0053	3.4600	2.3439	5.0817	3.1485		2.3213	4.1143	4.7239	4.1143	4.7239
H9	2.6438	1.4440	4.0053	3.4600	2.3439	5.0817	3.1485	2.3213		4.7239	4.1143	4.7239	4.1143
H10	2.6438	3.4600	1.4440	4.0053	3.1485	2.3439	5.0817	4.1143	4.7239		2.3213	4.1143	4.7239
H11	2.6438	3.4600	1.4440	4.0053	3.1485	2.3439	5.0817	4.7239	4.1143	2.3213		4.7239	4.1143
H12	2.6438	4.0053	3.4600	1.4440	5.0817	3.1485	2.3439	4.1143	4.7239	4.1143	4.7239		2.3213
H13	2.6438	4.0053	3.4600	1.4440	5.0817	3.1485	2.3439	4.7239	4.1143	4.7239	4.1143	2.3213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	109.005	N1	Si2	H8	111.675
N1	Si2	H9	111.675	N1	Si3	H6	109.005
N1	Si3	H10	111.674	N1	Si3	H11	111.674
N1	Si4	H7	109.005	N1	Si4	H12	111.674
N1	Si4	H13	111.674	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	108.710	H5	Si2	H9	108.710
H6	Si3	H10	108.710	H6	Si3	H11	108.710
H7	Si4	H12	108.710	H7	Si4	H13	108.710
H8	Si2	H9	106.977	H10	Si3	H11	106.977
H12	Si4	H13	106.977

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

using model chemistry: B2PLYP/STO-3G

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	-0.745
2	Si	0.708
3	Si	0.708
4	Si	0.708
5	H	-0.150
6	H	-0.150
7	H	-0.150
8	H	-0.154
9	H	-0.154
10	H	-0.154
11	H	-0.154
12	H	-0.154
13	H	-0.154

<r²>	219.151
(<r²>)^1/2	14.804

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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