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	hartrees
Energy at 0K	-928.654008
Energy at 298.15K
HF Energy	-928.654008
Nuclear repulsion energy	292.100512

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'	2280	2178	0.00	704.89	0.01	0.01
2	A'	2264	2162	0.00	100.67	0.42	0.59
3	A'	1030	984	0.12	3.82	0.75	0.85
4	A'	971	927	0.00	5.34	0.73	0.85
5	A'	659	630	0.00	0.70	0.26	0.42
6	A'	498	476	0.00	15.46	0.05	0.10
7	A"	2271	2169	360.85	0.00	0.75	0.86
8	A"	952	909	172.47	0.00	0.75	0.86
9	A"	753	720	113.13	0.00	0.75	0.86
10	A"	161	154	0.32	0.00	0.75	0.86
11	A"	94	90	0.22	0.00	0.75	0.86
12	E'	2275	2173	232.14	58.09	0.75	0.86
12	E'	2275	2173	231.78	57.03	0.75	0.86
13	E'	2266	2164	50.05	4.08	0.75	0.86
13	E'	2266	2164	49.76	4.15	0.75	0.86
14	E'	1033	986	125.82	1.94	0.75	0.86
14	E'	1033	986	125.53	1.91	0.75	0.86
15	E'	982	938	211.98	4.89	0.75	0.86
15	E'	982	938	212.08	5.05	0.75	0.86
16	E'	952	909	523.35	8.60	0.75	0.86
16	E'	952	909	526.22	8.87	0.75	0.86
17	E'	697	665	0.49	7.46	0.75	0.86
17	E'	697	665	0.51	7.28	0.75	0.86
18	E'	178	170	0.50	0.10	0.75	0.86
18	E'	177	169	0.48	0.10	0.75	0.86
19	E"	2268	2166	0.00	108.89	0.75	0.86
19	E"	2268	2166	0.00	107.08	0.75	0.86
20	E"	949	906	0.00	13.86	0.75	0.86
20	E"	949	906	0.00	14.18	0.75	0.86
21	E"	695	664	0.00	7.55	0.75	0.86
21	E"	695	664	0.00	7.63	0.75	0.86
22	E"	60	58	0.00	0.24	0.75	0.86
22	E"	60	58	0.00	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.741	0.000
Si3	-1.507	-0.870	0.000
Si4	1.507	-0.870	0.000
H5	-1.415	2.179	0.000
H6	-1.180	-2.315	0.000
H7	2.595	0.135	0.000
H8	0.681	2.278	1.198
H9	0.681	2.278	-1.198
H10	-2.314	-0.549	1.198
H11	-2.314	-0.549	-1.198
H12	1.633	-1.729	1.198
H13	1.633	-1.729	-1.198

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7406	1.7406	1.7406	2.5982	2.5982	2.5982	2.6629	2.6629	2.6629	2.6629	2.6629	2.6629
Si2	1.7406		3.0148	3.0148	1.4810	4.2235	3.0511	1.4795	1.4795	3.4688	3.4688	4.0175	4.0175
Si3	1.7406	3.0148		3.0148	3.0511	1.4810	4.2235	4.0175	4.0175	1.4795	1.4795	3.4688	3.4688
Si4	1.7406	3.0148	3.0148		4.2235	3.0511	1.4810	3.4688	3.4688	4.0175	4.0175	1.4795	1.4795
H5	2.5982	1.4810	3.0511	4.2235		4.5002	4.5002	2.4162	2.4162	3.1128	3.1128	5.0988	5.0988
H6	2.5982	4.2235	1.4810	3.0511	4.5002		4.5002	5.0988	5.0988	2.4162	2.4162	3.1128	3.1128
H7	2.5982	3.0511	4.2235	1.4810	4.5002	4.5002		3.1128	3.1128	5.0988	5.0988	2.4162	2.4162
H8	2.6629	1.4795	4.0175	3.4688	2.4162	5.0988	3.1128		2.3963	4.1190	4.7653	4.1190	4.7653
H9	2.6629	1.4795	4.0175	3.4688	2.4162	5.0988	3.1128	2.3963		4.7653	4.1190	4.7653	4.1190
H10	2.6629	3.4688	1.4795	4.0175	3.1128	2.4162	5.0988	4.1190	4.7653		2.3963	4.1190	4.7653
H11	2.6629	3.4688	1.4795	4.0175	3.1128	2.4162	5.0988	4.7653	4.1190	2.3963		4.7653	4.1190
H12	2.6629	4.0175	3.4688	1.4795	5.0988	3.1128	2.4162	4.1190	4.7653	4.1190	4.7653		2.3963
H13	2.6629	4.0175	3.4688	1.4795	5.0988	3.1128	2.4162	4.7653	4.1190	4.7653	4.1190	2.3963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.235	N1	Si2	H8	111.316
N1	Si2	H9	111.316	N1	Si3	H6	107.235
N1	Si3	H10	111.316	N1	Si3	H11	111.316
N1	Si4	H7	107.235	N1	Si4	H12	111.316
N1	Si4	H13	111.316	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.396	H5	Si2	H9	109.396
H6	Si3	H10	109.396	H6	Si3	H11	109.396
H7	Si4	H12	109.396	H7	Si4	H13	109.396
H8	Si2	H9	108.158	H10	Si3	H11	108.158
H12	Si4	H13	108.158

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

using model chemistry: M06-2X/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	-0.277
2	Si	0.125
3	Si	0.125
4	Si	0.125
5	H	-0.007
6	H	-0.007
7	H	-0.007
8	H	-0.013
9	H	-0.013
10	H	-0.013
11	H	-0.013
12	H	-0.013
13	H	-0.013

	x	y	z
x	12.888	0.003	0.000
y	0.003	12.885	0.000
z	0.000	0.000	10.887

<r²>	222.325
(<r²>)^1/2	14.911

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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