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	hartrees
Energy at 0K	-928.184053
Energy at 298.15K
HF Energy	-928.184053
Nuclear repulsion energy	290.729449

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'	2264	2152	0.00	587.12	0.00	0.00
2	A'	2254	2142	0.00	77.38	0.74	0.85
3	A'	1030	978	0.00	16.49	0.75	0.86
4	A'	960	913	0.00	14.58	0.75	0.86
5	A'	653	621	0.00	1.41	0.05	0.09
6	A'	490	465	0.00	13.83	0.08	0.15
7	A"	2255	2143	503.79	0.00	0.75	0.86
8	A"	943	896	194.42	0.00	0.75	0.86
9	A"	737	700	117.40	0.00	0.75	0.86
10	A"	166	158	1.21	0.00	0.75	0.86
11	A"	68	65	0.01	0.00	0.75	0.86
12	E'	2265	2152	283.14	62.20	0.75	0.86
12	E'	2265	2152	283.19	62.20	0.75	0.86
13	E'	2248	2136	93.43	2.37	0.75	0.86
13	E'	2248	2136	93.44	2.37	0.75	0.86
14	E'	1016	966	137.69	2.66	0.75	0.86
14	E'	1016	966	137.69	2.66	0.75	0.86
15	E'	973	925	295.50	5.17	0.75	0.86
15	E'	973	925	295.51	5.17	0.75	0.86
16	E'	946	899	477.10	29.31	0.75	0.86
16	E'	946	899	477.12	29.31	0.75	0.86
17	E'	691	656	1.41	13.79	0.75	0.86
17	E'	691	656	1.41	13.79	0.75	0.86
18	E'	168	159	0.50	0.17	0.75	0.86
18	E'	168	159	0.50	0.17	0.75	0.86
19	E"	2251	2139	0.00	101.91	0.75	0.86
19	E"	2251	2139	0.00	101.90	0.75	0.86
20	E"	938	891	0.00	26.24	0.75	0.86
20	E"	938	891	0.00	26.24	0.75	0.86
21	E"	687	653	0.00	13.64	0.75	0.86
21	E"	687	653	0.00	13.64	0.75	0.86
22	E"	72	69	0.00	0.74	0.75	0.86
22	E"	72	69	0.00	0.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.747	0.000
Si3	-1.513	-0.873	0.000
Si4	1.513	-0.873	0.000
H5	-1.422	2.193	0.000
H6	-1.189	-2.328	0.000
H7	2.610	0.134	0.000
H8	0.681	2.301	1.204
H9	0.681	2.301	-1.204
H10	-2.333	-0.561	1.204
H11	-2.333	-0.561	-1.204
H12	1.653	-1.740	1.204
H13	1.653	-1.740	-1.204

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7469	1.7469	1.7469	2.6139	2.6139	2.6139	2.6849	2.6849	2.6849	2.6849	2.6849	2.6849
Si2	1.7469		3.0258	3.0258	1.4901	4.2447	3.0683	1.4902	1.4902	3.4959	3.4959	4.0423	4.0423
Si3	1.7469	3.0258		3.0258	3.0683	1.4901	4.2447	4.0423	4.0423	1.4902	1.4902	3.4959	3.4959
Si4	1.7469	3.0258	3.0258		4.2447	3.0683	1.4901	3.4959	3.4959	4.0423	4.0423	1.4902	1.4902
H5	2.6139	1.4901	3.0683	4.2447		4.5273	4.5273	2.4252	2.4252	3.1415	3.1415	5.1354	5.1354
H6	2.6139	4.2447	1.4901	3.0683	4.5273		4.5273	5.1354	5.1354	2.4252	2.4252	3.1415	3.1415
H7	2.6139	3.0683	4.2447	1.4901	4.5273	4.5273		3.1415	3.1415	5.1354	5.1354	2.4252	2.4252
H8	2.6849	1.4902	4.0423	3.4959	2.4252	5.1354	3.1415		2.4087	4.1563	4.8039	4.1563	4.8039
H9	2.6849	1.4902	4.0423	3.4959	2.4252	5.1354	3.1415	2.4087		4.8039	4.1563	4.8039	4.1563
H10	2.6849	3.4959	1.4902	4.0423	3.1415	2.4252	5.1354	4.1563	4.8039		2.4087	4.1563	4.8039
H11	2.6849	3.4959	1.4902	4.0423	3.1415	2.4252	5.1354	4.8039	4.1563	2.4087		4.8039	4.1563
H12	2.6849	4.0423	3.4959	1.4902	5.1354	3.1415	2.4252	4.1563	4.8039	4.1563	4.8039		2.4087
H13	2.6849	4.0423	3.4959	1.4902	5.1354	3.1415	2.4252	4.8039	4.1563	4.8039	4.1563	2.4087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.437	N1	Si2	H8	111.831
N1	Si2	H9	111.831	N1	Si3	H6	107.437
N1	Si3	H10	111.831	N1	Si3	H11	111.831
N1	Si4	H7	107.437	N1	Si4	H12	111.831
N1	Si4	H13	111.831	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	108.923	H5	Si2	H9	108.923
H6	Si3	H10	108.923	H6	Si3	H11	108.923
H7	Si4	H12	108.923	H7	Si4	H13	108.923
H8	Si2	H9	107.832	H10	Si3	H11	107.832
H12	Si4	H13	107.832

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

using model chemistry: PBE1PBE/6-31G*

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	-0.843
2	Si	0.495
3	Si	0.495
4	Si	0.495
5	H	-0.078
6	H	-0.078
7	H	-0.078
8	H	-0.068
9	H	-0.068
10	H	-0.068
11	H	-0.068
12	H	-0.068
13	H	-0.068

	x	y	z
x	11.063	-0.000	0.000
y	-0.000	11.063	0.000
z	0.000	0.000	9.086

<r²>	223.796
(<r²>)^1/2	14.960

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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