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	hartrees
Energy at 0K	-928.743871
Energy at 298.15K
HF Energy	-928.743871
Nuclear repulsion energy	290.615568

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'	2237	2140	0.00	746.61	0.00	0.01
2	A'	2226	2130	0.00	95.81	0.62	0.77
3	A'	1010	966	0.00	12.29	0.75	0.86
4	A'	954	913	0.00	9.06	0.74	0.85
5	A'	644	616	0.00	1.40	0.17	0.30
6	A'	487	466	0.00	13.68	0.07	0.14
7	A"	2228	2132	396.01	0.00	0.75	0.86
8	A"	940	900	172.73	0.00	0.75	0.86
9	A"	734	702	118.67	0.00	0.75	0.86
10	A"	162	155	0.68	0.00	0.75	0.86
11	A"	80	76	0.07	0.00	0.75	0.86
12	E'	2236	2139	234.33	73.96	0.75	0.86
12	E'	2236	2139	234.39	73.93	0.75	0.86
13	E'	2222	2126	71.75	0.80	0.75	0.86
13	E'	2222	2126	71.78	0.80	0.75	0.86
14	E'	1014	970	142.85	2.11	0.75	0.86
14	E'	1013	970	142.86	2.11	0.75	0.86
15	E'	966	925	196.18	8.64	0.75	0.86
15	E'	966	925	196.21	8.63	0.75	0.86
16	E'	932	892	538.06	20.56	0.75	0.86
16	E'	932	892	538.07	20.55	0.75	0.86
17	E'	682	653	0.77	13.46	0.75	0.86
17	E'	682	653	0.77	13.45	0.75	0.86
18	E'	156	150	0.65	0.21	0.75	0.86
18	E'	156	150	0.65	0.21	0.75	0.86
19	E"	2225	2129	0.00	133.52	0.75	0.86
19	E"	2225	2129	0.00	133.58	0.75	0.86
20	E"	937	897	0.00	26.46	0.75	0.86
20	E"	937	897	0.00	26.43	0.75	0.86
21	E"	683	653	0.00	15.69	0.75	0.86
21	E"	683	653	0.00	15.68	0.75	0.86
22	E"	78	75	0.00	0.51	0.75	0.86
22	E"	78	75	0.00	0.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.749	0.000
Si3	-1.515	-0.875	0.000
Si4	1.515	-0.875	0.000
H5	-1.422	2.187	0.000
H6	-1.183	-2.324	0.000
H7	2.605	0.138	0.000
H8	0.680	2.295	1.205
H9	0.680	2.295	-1.205
H10	-2.328	-0.558	1.205
H11	-2.328	-0.558	-1.205
H12	1.647	-1.737	1.205
H13	1.647	-1.737	-1.205

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7494	1.7494	1.7494	2.6082	2.6082	2.6082	2.6796	2.6796	2.6796	2.6796	2.6796	2.6796
Si2	1.7494		3.0301	3.0301	1.4873	4.2422	3.0628	1.4872	1.4872	3.4919	3.4919	4.0395	4.0395
Si3	1.7494	3.0301		3.0301	3.0628	1.4873	4.2422	4.0395	4.0395	1.4872	1.4872	3.4919	3.4919
Si4	1.7494	3.0301	3.0301		4.2422	3.0628	1.4873	3.4919	3.4919	4.0395	4.0395	1.4872	1.4872
H5	2.6082	1.4873	3.0628	4.2422		4.5175	4.5175	2.4252	2.4252	3.1314	3.1314	5.1246	5.1246
H6	2.6082	4.2422	1.4873	3.0628	4.5175		4.5175	5.1246	5.1246	2.4252	2.4252	3.1314	3.1314
H7	2.6082	3.0628	4.2422	1.4873	4.5175	4.5175		3.1314	3.1314	5.1246	5.1246	2.4252	2.4252
H8	2.6796	1.4872	4.0395	3.4919	2.4252	5.1246	3.1314		2.4093	4.1458	4.7950	4.1458	4.7950
H9	2.6796	1.4872	4.0395	3.4919	2.4252	5.1246	3.1314	2.4093		4.7950	4.1458	4.7950	4.1458
H10	2.6796	3.4919	1.4872	4.0395	3.1314	2.4252	5.1246	4.1458	4.7950		2.4093	4.1458	4.7950
H11	2.6796	3.4919	1.4872	4.0395	3.1314	2.4252	5.1246	4.7950	4.1458	2.4093		4.7950	4.1458
H12	2.6796	4.0395	3.4919	1.4872	5.1246	3.1314	2.4252	4.1458	4.7950	4.1458	4.7950		2.4093
H13	2.6796	4.0395	3.4919	1.4872	5.1246	3.1314	2.4252	4.7950	4.1458	4.7950	4.1458	2.4093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.096	N1	Si2	H8	111.512
N1	Si2	H9	111.512	N1	Si3	H6	107.096
N1	Si3	H10	111.512	N1	Si3	H11	111.512
N1	Si4	H7	107.096	N1	Si4	H12	111.512
N1	Si4	H13	111.512	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.241	H5	Si2	H9	109.241
H6	Si3	H10	109.241	H6	Si3	H11	109.241
H7	Si4	H12	109.242	H7	Si4	H13	109.242
H8	Si2	H9	108.200	H10	Si3	H11	108.200
H12	Si4	H13	108.200

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

using model chemistry: B1B95/TZVP

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	-0.587
2	Si	0.449
3	Si	0.449
4	Si	0.449
5	H	-0.090
6	H	-0.090
7	H	-0.090
8	H	-0.082
9	H	-0.082
10	H	-0.082
11	H	-0.082
12	H	-0.082
13	H	-0.082

	x	y	z
x	12.512	-0.001	0.000
y	-0.001	12.512	0.000
z	0.000	0.000	10.729

<r²>	224.223
(<r²>)^1/2	14.974

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

using model chemistry: B1B95/TZVP

States and conformations

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