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	hartrees
Energy at 0K	-917.906666
Energy at 298.15K
HF Energy	-917.906666
Nuclear repulsion energy	292.026106

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'	2689	2400	0.00	39.29	0.57	0.73
2	A'	2624	2341	0.00	233.84	0.00	0.01
3	A'	1177	1050	0.00	39.65	0.70	0.82
4	A'	1130	1009	0.00	11.40	0.74	0.85
5	A'	737	657	0.00	0.06	0.63	0.77
6	A'	519	463	0.00	10.20	0.11	0.20
7	A"	2657	2371	132.34	0.00	0.75	0.86
8	A"	1111	992	197.87	0.00	0.75	0.86
9	A"	834	745	246.70	0.00	0.75	0.86
10	A"	199	178	3.18	0.00	0.75	0.86
11	A"	69i	61i	0.05	0.00	0.75	0.86
12	E'	2691	2402	41.21	44.25	0.75	0.86
12	E'	2691	2402	41.20	44.24	0.75	0.86
13	E'	2617	2335	61.07	3.90	0.75	0.86
13	E'	2617	2335	61.08	3.90	0.75	0.86
14	E'	1150	1027	76.25	13.17	0.75	0.86
14	E'	1150	1027	76.25	13.17	0.75	0.86
15	E'	1096	978	713.94	17.91	0.75	0.86
15	E'	1096	978	713.93	17.91	0.75	0.86
16	E'	1090	973	7.91	7.91	0.75	0.86
16	E'	1090	973	7.91	7.91	0.75	0.86
17	E'	774	690	5.81	8.52	0.75	0.86
17	E'	774	690	5.81	8.52	0.75	0.86
18	E'	219	196	0.69	0.34	0.75	0.86
18	E'	219	196	0.69	0.34	0.75	0.86
19	E"	2655	2369	0.00	76.11	0.75	0.86
19	E"	2655	2369	0.00	76.11	0.75	0.86
20	E"	1109	990	0.00	27.78	0.75	0.86
20	E"	1109	990	0.00	27.78	0.75	0.86
21	E"	771	688	0.00	8.19	0.75	0.86
21	E"	771	688	0.00	8.19	0.75	0.86
22	E"	49	43	0.00	0.14	0.75	0.86
22	E"	49	43	0.00	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.750	0.000
Si3	-1.515	-0.875	0.000
Si4	1.515	-0.875	0.000
H5	-1.367	2.218	0.000
H6	-1.237	-2.293	0.000
H7	2.605	0.075	0.000
H8	0.676	2.285	1.165
H9	0.676	2.285	-1.165
H10	-2.317	-0.557	1.165
H11	-2.317	-0.557	-1.165
H12	1.641	-1.728	1.165
H13	1.641	-1.728	-1.165

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7497	1.7497	1.7497	2.6057	2.6057	2.6057	2.6525	2.6525	2.6525	2.6525	2.6525	2.6525
Si2	1.7497		3.0306	3.0306	1.4454	4.2281	3.0965	1.4497	1.4497	3.4707	3.4707	4.0180	4.0180
Si3	1.7497	3.0306		3.0306	3.0965	1.4454	4.2281	4.0180	4.0180	1.4497	1.4497	3.4707	3.4707
Si4	1.7497	3.0306	3.0306		4.2281	3.0965	1.4454	3.4707	3.4707	4.0180	4.0180	1.4497	1.4497
H5	2.6057	1.4454	3.0965	4.2281		4.5133	4.5133	2.3534	2.3534	3.1559	3.1559	5.0968	5.0968
H6	2.6057	4.2281	1.4454	3.0965	4.5133		4.5133	5.0968	5.0968	2.3534	2.3534	3.1559	3.1559
H7	2.6057	3.0965	4.2281	1.4454	4.5133	4.5133		3.1559	3.1559	5.0968	5.0968	2.3534	2.3534
H8	2.6525	1.4497	4.0180	3.4707	2.3534	5.0968	3.1559		2.3307	4.1270	4.7397	4.1270	4.7397
H9	2.6525	1.4497	4.0180	3.4707	2.3534	5.0968	3.1559	2.3307		4.7397	4.1270	4.7397	4.1270
H10	2.6525	3.4707	1.4497	4.0180	3.1559	2.3534	5.0968	4.1270	4.7397		2.3307	4.1270	4.7397
H11	2.6525	3.4707	1.4497	4.0180	3.1559	2.3534	5.0968	4.7397	4.1270	2.3307		4.7397	4.1270
H12	2.6525	4.0180	3.4707	1.4497	5.0968	3.1559	2.3534	4.1270	4.7397	4.1270	4.7397		2.3307
H13	2.6525	4.0180	3.4707	1.4497	5.0968	3.1559	2.3534	4.7397	4.1270	4.7397	4.1270	2.3307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	108.909	N1	Si2	H8	111.660
N1	Si2	H9	111.660	N1	Si3	H6	108.909
N1	Si3	H10	111.660	N1	Si3	H11	111.660
N1	Si4	H7	108.909	N1	Si4	H12	111.660
N1	Si4	H13	111.660	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	108.762	H5	Si2	H9	108.762
H6	Si3	H10	108.762	H6	Si3	H11	108.762
H7	Si4	H12	108.762	H7	Si4	H13	108.762
H8	Si2	H9	107.004	H10	Si3	H11	107.004
H12	Si4	H13	107.004

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

using model chemistry: B3LYP/STO-3G

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	-0.727
2	Si	0.670
3	Si	0.670
4	Si	0.670
5	H	-0.140
6	H	-0.140
7	H	-0.140
8	H	-0.144
9	H	-0.144
10	H	-0.144
11	H	-0.144
12	H	-0.144
13	H	-0.144

	x	y	z
x	5.900	-0.000	0.000
y	-0.000	5.900	0.000
z	0.000	0.000	4.050

<r²>	220.154
(<r²>)^1/2	14.838

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

using model chemistry: B3LYP/STO-3G

States and conformations

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