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	hartrees
Energy at 0K	-928.822996
Energy at 298.15K
HF Energy	-928.822996
Nuclear repulsion energy	290.866172

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'	2243	2165	0.00	850.05	0.00	0.00
2	A'	2232	2154	0.00	73.47	0.67	0.81
3	A'	1021	985	0.00	1.97	0.71	0.83
4	A'	966	932	0.00	4.90	0.75	0.86
5	A'	645	623	0.00	0.67	0.20	0.33
6	A'	482	465	0.00	19.63	0.05	0.09
7	A"	2234	2156	364.26	0.00	0.75	0.86
8	A"	950	917	159.21	0.00	0.75	0.86
9	A"	734	708	99.78	0.00	0.75	0.86
10	A"	160	155	0.30	0.00	0.75	0.86
11	A"	86	83	0.24	0.00	0.75	0.86
12	E'	2242	2164	223.40	61.63	0.75	0.86
12	E'	2242	2164	223.51	61.32	0.75	0.86
13	E'	2229	2152	63.67	4.16	0.75	0.86
13	E'	2229	2152	63.63	4.14	0.75	0.86
14	E'	1004	969	60.22	2.37	0.75	0.86
14	E'	1004	969	60.17	2.37	0.75	0.86
15	E'	975	941	174.60	5.75	0.75	0.86
15	E'	975	941	174.68	5.77	0.75	0.86
16	E'	942	910	584.26	5.08	0.75	0.86
16	E'	942	910	584.61	5.10	0.75	0.86
17	E'	686	662	1.43	5.12	0.75	0.86
17	E'	686	662	1.43	5.12	0.75	0.86
18	E'	153	148	0.55	0.16	0.75	0.86
18	E'	153	148	0.55	0.16	0.75	0.86
19	E"	2231	2153	0.00	119.81	0.75	0.86
19	E"	2231	2153	0.00	119.24	0.75	0.86
20	E"	948	915	0.00	9.35	0.75	0.86
20	E"	948	915	0.00	9.30	0.75	0.86
21	E"	687	663	0.00	4.03	0.75	0.86
21	E"	687	663	0.00	4.05	0.75	0.86
22	E"	74	72	0.00	0.12	0.75	0.86
22	E"	74	72	0.00	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.748	0.000
Si3	-1.514	-0.874	0.000
Si4	1.514	-0.874	0.000
H5	-1.419	2.188	0.000
H6	-1.186	-2.323	0.000
H7	2.604	0.134	0.000
H8	0.682	2.292	1.202
H9	0.682	2.292	-1.202
H10	-2.325	-0.556	1.202
H11	-2.325	-0.556	-1.202
H12	1.644	-1.736	1.202
H13	1.644	-1.736	-1.202

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7482	1.7482	1.7482	2.6079	2.6079	2.6079	2.6760	2.6760	2.6760	2.6760	2.6760	2.6760
Si2	1.7482		3.0279	3.0279	1.4853	4.2401	3.0640	1.4849	1.4849	3.4871	3.4871	4.0357	4.0357
Si3	1.7482	3.0279		3.0279	3.0640	1.4853	4.2401	4.0357	4.0357	1.4849	1.4849	3.4871	3.4871
Si4	1.7482	3.0279	3.0279		4.2401	3.0640	1.4853	3.4871	3.4871	4.0357	4.0357	1.4849	1.4849
H5	2.6079	1.4853	3.0640	4.2401		4.5171	4.5171	2.4220	2.4220	3.1300	3.1300	5.1210	5.1210
H6	2.6079	4.2401	1.4853	3.0640	4.5171		4.5171	5.1210	5.1210	2.4220	2.4220	3.1300	3.1300
H7	2.6079	3.0640	4.2401	1.4853	4.5171	4.5171		3.1300	3.1300	5.1210	5.1210	2.4220	2.4220
H8	2.6760	1.4849	4.0357	3.4871	2.4220	5.1210	3.1300		2.4043	4.1410	4.7884	4.1410	4.7884
H9	2.6760	1.4849	4.0357	3.4871	2.4220	5.1210	3.1300	2.4043		4.7884	4.1410	4.7884	4.1410
H10	2.6760	3.4871	1.4849	4.0357	3.1300	2.4220	5.1210	4.1410	4.7884		2.4043	4.1410	4.7884
H11	2.6760	3.4871	1.4849	4.0357	3.1300	2.4220	5.1210	4.7884	4.1410	2.4043		4.7884	4.1410
H12	2.6760	4.0357	3.4871	1.4849	5.1210	3.1300	2.4220	4.1410	4.7884	4.1410	4.7884		2.4043
H13	2.6760	4.0357	3.4871	1.4849	5.1210	3.1300	2.4220	4.7884	4.1410	4.7884	4.1410	2.4043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.241	N1	Si2	H8	111.468
N1	Si2	H9	111.468	N1	Si3	H6	107.241
N1	Si3	H10	111.468	N1	Si3	H11	111.468
N1	Si4	H7	107.241	N1	Si4	H12	111.468
N1	Si4	H13	111.468	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.260	H5	Si2	H9	109.260
H6	Si3	H10	109.260	H6	Si3	H11	109.260
H7	Si4	H12	109.260	H7	Si4	H13	109.260
H8	Si2	H9	108.111	H10	Si3	H11	108.111
H12	Si4	H13	108.111

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

using model chemistry: TPSSh/aug-cc-pVTZ

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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Number	Element	Mulliken
1	N	-0.122
2	Si	0.467
3	Si	0.467
4	Si	0.467
5	H	-0.176
6	H	-0.176
7	H	-0.176
8	H	-0.125
9	H	-0.125
10	H	-0.125
11	H	-0.125
12	H	-0.125
13	H	-0.125

	x	y	z
x	13.938	-0.001	0.000
y	-0.001	13.939	0.000
z	0.000	0.000	11.539

<r²>	223.954
(<r²>)^1/2	14.965

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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