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	hartrees
Energy at 0K	-928.272575
Energy at 298.15K
HF Energy	-928.272575
Nuclear repulsion energy	287.625697

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'	2208	2124	0.00	691.75	0.00	0.01
2	A'	2202	2118	0.00	89.76	0.67	0.80
3	A'	1003	965	0.00	11.89	0.73	0.85
4	A'	944	908	0.00	9.89	0.74	0.85
5	A'	640	616	0.00	1.06	0.16	0.27
6	A'	476	458	0.00	16.87	0.08	0.14
7	A"	2202	2119	356.62	0.00	0.75	0.86
8	A"	927	892	153.96	0.00	0.75	0.86
9	A"	719	692	103.83	0.00	0.75	0.86
10	A"	152	146	1.05	0.00	0.75	0.86
11	A"	63	61	0.05	0.00	0.75	0.86
12	E'	2211	2127	199.50	72.88	0.75	0.86
12	E'	2211	2127	199.55	72.87	0.75	0.86
13	E'	2194	2110	84.81	1.64	0.75	0.86
13	E'	2194	2110	84.82	1.64	0.75	0.86
14	E'	989	952	75.21	2.38	0.75	0.86
14	E'	989	952	75.21	2.38	0.75	0.86
15	E'	954	917	212.40	8.30	0.75	0.86
15	E'	954	917	212.41	8.30	0.75	0.86
16	E'	924	889	515.79	20.68	0.75	0.86
16	E'	924	889	515.81	20.68	0.75	0.86
17	E'	675	649	2.34	13.40	0.75	0.86
17	E'	675	649	2.34	13.39	0.75	0.86
18	E'	168	162	0.65	0.15	0.75	0.86
18	E'	168	162	0.65	0.15	0.75	0.86
19	E"	2200	2116	0.00	127.94	0.75	0.86
19	E"	2200	2116	0.00	127.93	0.75	0.86
20	E"	924	889	0.00	25.99	0.75	0.86
20	E"	924	889	0.00	26.00	0.75	0.86
21	E"	679	653	0.00	14.80	0.75	0.86
21	E"	679	653	0.00	14.79	0.75	0.86
22	E"	68	66	0.00	0.50	0.75	0.86
22	E"	68	66	0.00	0.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.769	0.000
Si3	-1.532	-0.884	0.000
Si4	1.532	-0.884	0.000
H5	-1.433	2.210	0.000
H6	-1.197	-2.346	0.000
H7	2.631	0.136	0.000
H8	0.687	2.317	1.216
H9	0.687	2.317	-1.216
H10	-2.350	-0.564	1.216
H11	-2.350	-0.564	-1.216
H12	1.663	-1.753	1.216
H13	1.663	-1.753	-1.216

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7686	1.7686	1.7686	2.6343	2.6343	2.6343	2.7050	2.7050	2.7050	2.7050	2.7050	2.7050
Si2	1.7686		3.0633	3.0633	1.4999	4.2857	3.0960	1.4999	1.4999	3.5269	3.5269	4.0800	4.0800
Si3	1.7686	3.0633		3.0633	3.0960	1.4999	4.2857	4.0800	4.0800	1.4999	1.4999	3.5269	3.5269
Si4	1.7686	3.0633	3.0633		4.2857	3.0960	1.4999	3.5269	3.5269	4.0800	4.0800	1.4999	1.4999
H5	2.6343	1.4999	3.0960	4.2857		4.5628	4.5628	2.4463	2.4463	3.1641	3.1641	5.1744	5.1744
H6	2.6343	4.2857	1.4999	3.0960	4.5628		4.5628	5.1744	5.1744	2.4463	2.4463	3.1641	3.1641
H7	2.6343	3.0960	4.2857	1.4999	4.5628	4.5628		3.1641	3.1641	5.1744	5.1744	2.4463	2.4463
H8	2.7050	1.4999	4.0800	3.5269	2.4463	5.1744	3.1641		2.4311	4.1855	4.8403	4.1855	4.8403
H9	2.7050	1.4999	4.0800	3.5269	2.4463	5.1744	3.1641	2.4311		4.8403	4.1855	4.8403	4.1855
H10	2.7050	3.5269	1.4999	4.0800	3.1641	2.4463	5.1744	4.1855	4.8403		2.4311	4.1855	4.8403
H11	2.7050	3.5269	1.4999	4.0800	3.1641	2.4463	5.1744	4.8403	4.1855	2.4311		4.8403	4.1855
H12	2.7050	4.0800	3.5269	1.4999	5.1744	3.1641	2.4463	4.1855	4.8403	4.1855	4.8403		2.4311
H13	2.7050	4.0800	3.5269	1.4999	5.1744	3.1641	2.4463	4.8403	4.1855	4.8403	4.1855	2.4311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.122	N1	Si2	H8	111.441
N1	Si2	H9	111.441	N1	Si3	H6	107.122
N1	Si3	H10	111.441	N1	Si3	H11	111.441
N1	Si4	H7	107.122	N1	Si4	H12	111.441
N1	Si4	H13	111.441	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.265	H5	Si2	H9	109.265
H6	Si3	H10	109.265	H6	Si3	H11	109.265
H7	Si4	H12	109.265	H7	Si4	H13	109.265
H8	Si2	H9	108.271	H10	Si3	H11	108.271
H12	Si4	H13	108.271

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	-0.597
2	Si	0.346
3	Si	0.346
4	Si	0.346
5	H	-0.050
6	H	-0.050
7	H	-0.050
8	H	-0.049
9	H	-0.049
10	H	-0.049
11	H	-0.049
12	H	-0.049
13	H	-0.049

	x	y	z
x	12.608	-0.000	0.000
y	-0.000	12.608	0.000
z	0.000	0.000	10.573

<r²>	228.224
(<r²>)^1/2	15.107

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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