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	hartrees
Energy at 0K	-928.657188
Energy at 298.15K
HF Energy	-928.657188
Nuclear repulsion energy	292.153409

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'	2281	2281	0.00	729.78	0.01	0.01
2	A'	2265	2265	0.00	69.78	0.52	0.69
3	A'	1027	1027	0.30	4.12	0.59	0.74
4	A'	969	969	0.00	9.82	0.42	0.59
5	A'	657	657	0.00	0.35	0.04	0.07
6	A'	498	498	0.00	9.26	0.04	0.07
7	A"	2271	2271	361.14	0.00	0.75	0.86
8	A"	951	951	169.57	0.00	0.75	0.86
9	A"	753	753	110.74	0.01	0.75	0.86
10	A"	165	165	0.41	0.00	0.75	0.86
11	A"	105	105	0.22	0.01	0.75	0.86
12	E'	2276	2276	236.80	44.12	0.75	0.86
12	E'	2276	2276	236.72	44.04	0.75	0.86
13	E'	2267	2267	47.24	4.62	0.72	0.84
13	E'	2267	2267	46.44	4.08	0.75	0.86
14	E'	1031	1031	125.82	2.17	0.75	0.86
14	E'	1031	1031	127.45	2.19	0.74	0.85
15	E'	981	981	205.38	2.12	0.75	0.85
15	E'	981	981	206.20	1.48	0.74	0.85
16	E'	950	950	513.81	7.42	0.75	0.86
16	E'	950	950	519.65	7.64	0.75	0.85
17	E'	695	695	0.45	5.42	0.75	0.85
17	E'	694	694	0.50	5.43	0.75	0.86
18	E'	177	177	0.44	0.13	0.71	0.83
18	E'	176	176	0.39	0.10	0.71	0.83
19	E"	2268	2268	0.00	99.81	0.75	0.86
19	E"	2268	2268	0.00	100.75	0.75	0.86
20	E"	949	949	0.00	7.40	0.75	0.86
20	E"	949	949	0.00	6.07	0.75	0.86
21	E"	695	695	0.00	2.22	0.75	0.86
21	E"	695	695	0.00	2.57	0.75	0.86
22	E"	81	81	0.00	0.32	0.75	0.86
22	E"	81	81	0.00	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.740	0.000
Si3	-1.507	-0.870	0.000
Si4	1.507	-0.870	0.000
H5	-1.414	2.181	0.000
H6	-1.182	-2.315	0.000
H7	2.595	0.134	0.000
H8	0.682	2.278	1.198
H9	0.682	2.278	-1.198
H10	-2.314	-0.548	1.198
H11	-2.314	-0.548	-1.198
H12	1.632	-1.729	1.198
H13	1.632	-1.729	-1.198

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7402	1.7402	1.7402	2.5989	2.5989	2.5989	2.6624	2.6624	2.6624	2.6624	2.6624	2.6624
Si2	1.7402		3.0141	3.0141	1.4808	4.2236	3.0523	1.4795	1.4795	3.4677	3.4677	4.0169	4.0169
Si3	1.7402	3.0141		3.0141	3.0523	1.4808	4.2236	4.0169	4.0169	1.4795	1.4795	3.4677	3.4677
Si4	1.7402	3.0141	3.0141		4.2236	3.0523	1.4808	3.4677	3.4677	4.0169	4.0169	1.4795	1.4795
H5	2.5989	1.4808	3.0523	4.2236		4.5015	4.5015	2.4157	2.4157	3.1134	3.1134	5.0989	5.0989
H6	2.5989	4.2236	1.4808	3.0523	4.5015		4.5015	5.0989	5.0989	2.4157	2.4157	3.1134	3.1134
H7	2.5989	3.0523	4.2236	1.4808	4.5015	4.5015		3.1134	3.1134	5.0989	5.0989	2.4157	2.4157
H8	2.6624	1.4795	4.0169	3.4677	2.4157	5.0989	3.1134		2.3958	4.1182	4.7644	4.1182	4.7644
H9	2.6624	1.4795	4.0169	3.4677	2.4157	5.0989	3.1134	2.3958		4.7644	4.1182	4.7644	4.1182
H10	2.6624	3.4677	1.4795	4.0169	3.1134	2.4157	5.0989	4.1182	4.7644		2.3958	4.1182	4.7644
H11	2.6624	3.4677	1.4795	4.0169	3.1134	2.4157	5.0989	4.7644	4.1182	2.3958		4.7644	4.1182
H12	2.6624	4.0169	3.4677	1.4795	5.0989	3.1134	2.4157	4.1182	4.7644	4.1182	4.7644		2.3958
H13	2.6624	4.0169	3.4677	1.4795	5.0989	3.1134	2.4157	4.7644	4.1182	4.7644	4.1182	2.3958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.313	N1	Si2	H8	111.307
N1	Si2	H9	111.307	N1	Si3	H6	107.313
N1	Si3	H10	111.307	N1	Si3	H11	111.307
N1	Si4	H7	107.313	N1	Si4	H12	111.307
N1	Si4	H13	111.307	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.381	H5	Si2	H9	109.381
H6	Si3	H10	109.381	H6	Si3	H11	109.381
H7	Si4	H12	109.381	H7	Si4	H13	109.381
H8	Si2	H9	108.127	H10	Si3	H11	108.127
H12	Si4	H13	108.127

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

using model chemistry: M06-2X/daug-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	4.045
2	Si	-1.221
3	Si	-1.221
4	Si	-1.221
5	H	-0.194
6	H	-0.194
7	H	-0.194
8	H	0.033
9	H	0.033
10	H	0.033
11	H	0.033
12	H	0.033
13	H	0.033

	x	y	z
x	13.508	0.003	0.000
y	0.003	13.505	0.000
z	0.000	0.000	11.346

<r²>	222.222
(<r²>)^1/2	14.907

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

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

States and conformations

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