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	hartrees
Energy at 0K	-928.744268
Energy at 298.15K
HF Energy	-928.744268
Nuclear repulsion energy	291.714749

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'	2249	2156	0.00	713.26	0.00	0.01
2	A'	2233	2141	0.00	95.52	0.67	0.80
3	A'	1029	987	0.00	17.30	0.73	0.85
4	A'	961	921	0.00	12.27	0.73	0.84
5	A'	651	624	0.00	0.94	0.06	0.12
6	A'	492	472	0.00	13.57	0.09	0.16
7	A"	2237	2145	413.15	0.00	0.75	0.86
8	A"	946	907	203.75	0.00	0.75	0.86
9	A"	746	715	128.48	0.00	0.75	0.86
10	A"	177	170	0.76	0.00	0.75	0.86
11	A"	84	80	0.13	0.00	0.75	0.86
12	E'	2244	2151	266.44	73.22	0.75	0.86
12	E'	2244	2151	266.52	73.22	0.75	0.86
13	E'	2234	2141	47.91	1.62	0.75	0.86
13	E'	2234	2141	47.89	1.62	0.75	0.86
14	E'	1017	975	120.35	2.95	0.75	0.86
14	E'	1017	975	120.31	2.95	0.75	0.86
15	E'	974	934	297.16	7.42	0.75	0.86
15	E'	974	934	297.15	7.41	0.75	0.86
16	E'	945	906	529.66	29.89	0.75	0.86
16	E'	945	906	529.77	29.88	0.75	0.86
17	E'	689	660	0.86	14.18	0.75	0.86
17	E'	689	660	0.86	14.16	0.75	0.86
18	E'	161	154	0.58	0.30	0.75	0.86
18	E'	161	154	0.58	0.30	0.75	0.86
19	E"	2234	2141	0.00	134.48	0.75	0.86
19	E"	2234	2141	0.00	134.44	0.75	0.86
20	E"	941	902	0.00	30.16	0.75	0.86
20	E"	941	902	0.00	30.21	0.75	0.86
21	E"	689	661	0.00	16.55	0.75	0.86
21	E"	689	661	0.00	16.53	0.75	0.86
22	E"	77	73	0.00	0.50	0.75	0.86
22	E"	77	73	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	1.742	0.000
Si3	-1.509	-0.871	0.000
Si4	1.509	-0.871	0.000
H5	-1.418	2.179	0.000
H6	-1.178	-2.318	0.000
H7	2.596	0.139	0.000
H8	0.677	2.291	1.200
H9	0.677	2.291	-1.200
H10	-2.323	-0.559	1.200
H11	-2.323	-0.559	-1.200
H12	1.646	-1.732	1.200
H13	1.646	-1.732	-1.200

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7419	1.7419	1.7419	2.6001	2.6001	2.6001	2.6736	2.6736	2.6736	2.6736	2.6736	2.6736
Si2	1.7419		3.0170	3.0170	1.4841	4.2272	3.0516	1.4835	1.4835	3.4828	3.4828	4.0269	4.0269
Si3	1.7419	3.0170		3.0170	3.0516	1.4841	4.2272	4.0269	4.0269	1.4835	1.4835	3.4828	3.4828
Si4	1.7419	3.0170	3.0170		4.2272	3.0516	1.4841	3.4828	3.4828	4.0269	4.0269	1.4835	1.4835
H5	2.6001	1.4841	3.0516	4.2272		4.5035	4.5035	2.4174	2.4174	3.1236	3.1236	5.1113	5.1113
H6	2.6001	4.2272	1.4841	3.0516	4.5035		4.5035	5.1113	5.1113	2.4174	2.4174	3.1236	3.1236
H7	2.6001	3.0516	4.2272	1.4841	4.5035	4.5035		3.1236	3.1236	5.1113	5.1113	2.4174	2.4174
H8	2.6736	1.4835	4.0269	3.4828	2.4174	5.1113	3.1236		2.4004	4.1380	4.7838	4.1380	4.7838
H9	2.6736	1.4835	4.0269	3.4828	2.4174	5.1113	3.1236	2.4004		4.7838	4.1380	4.7838	4.1380
H10	2.6736	3.4828	1.4835	4.0269	3.1236	2.4174	5.1113	4.1380	4.7838		2.4004	4.1380	4.7838
H11	2.6736	3.4828	1.4835	4.0269	3.1236	2.4174	5.1113	4.7838	4.1380	2.4004		4.7838	4.1380
H12	2.6736	4.0269	3.4828	1.4835	5.1113	3.1236	2.4174	4.1380	4.7838	4.1380	4.7838		2.4004
H13	2.6736	4.0269	3.4828	1.4835	5.1113	3.1236	2.4174	4.7838	4.1380	4.7838	4.1380	2.4004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.142	N1	Si2	H8	111.729
N1	Si2	H9	111.729	N1	Si3	H6	107.142
N1	Si3	H10	111.729	N1	Si3	H11	111.729
N1	Si4	H7	107.142	N1	Si4	H12	111.729
N1	Si4	H13	111.729	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.094	H5	Si2	H9	109.094
H6	Si3	H10	109.094	H6	Si3	H11	109.094
H7	Si4	H12	109.094	H7	Si4	H13	109.094
H8	Si2	H9	108.004	H10	Si3	H11	108.004
H12	Si4	H13	108.004

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

using model chemistry: B1B95/6-311G*

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	-1.073
2	Si	0.582
3	Si	0.582
4	Si	0.582
5	H	-0.081
6	H	-0.081
7	H	-0.081
8	H	-0.072
9	H	-0.072
10	H	-0.072
11	H	-0.072
12	H	-0.072
13	H	-0.072

	x	y	z
x	11.870	-0.001	0.000
y	-0.001	11.870	0.000
z	0.000	0.000	10.234

<r²>	222.813
(<r²>)^1/2	14.927

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

using model chemistry: B1B95/6-311G*

States and conformations

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