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	hartrees
Energy at 0K	-928.652320
Energy at 298.15K
HF Energy	-928.652320
Nuclear repulsion energy	292.878898

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'	2285	2285	0.00	754.96	0.00	0.01
2	A'	2267	2267	0.00	94.19	0.45	0.62
3	A'	1033	1033	0.05	1.54	0.75	0.86
4	A'	975	975	0.00	4.65	0.74	0.85
5	A'	663	663	0.00	0.48	0.15	0.26
6	A'	500	500	0.00	16.33	0.05	0.09
7	A"	2274	2274	355.81	0.00	0.75	0.86
8	A"	957	957	166.16	0.00	0.75	0.86
9	A"	755	755	109.72	0.00	0.75	0.86
10	A"	161	161	0.36	0.00	0.75	0.86
11	A"	102	102	0.16	0.00	0.75	0.86
12	E'	2279	2279	239.15	51.29	0.75	0.86
12	E'	2279	2279	238.58	50.99	0.75	0.86
13	E'	2270	2270	42.01	7.00	0.75	0.86
13	E'	2270	2270	41.99	6.93	0.75	0.86
14	E'	1031	1031	115.61	1.96	0.75	0.86
14	E'	1031	1031	115.19	1.90	0.75	0.86
15	E'	986	986	198.59	4.97	0.75	0.86
15	E'	986	986	198.59	5.05	0.75	0.86
16	E'	956	956	538.47	5.46	0.75	0.86
16	E'	956	956	540.71	5.60	0.75	0.86
17	E'	699	699	0.70	4.82	0.75	0.86
17	E'	699	699	0.71	4.75	0.75	0.86
18	E'	179	179	0.43	0.14	0.75	0.86
18	E'	178	178	0.43	0.15	0.75	0.86
19	E"	2271	2271	0.00	108.76	0.75	0.86
19	E"	2271	2271	0.00	107.87	0.75	0.86
20	E"	954	954	0.00	9.36	0.75	0.86
20	E"	954	954	0.00	9.47	0.75	0.86
21	E"	697	697	0.00	4.45	0.75	0.86
21	E"	697	697	0.00	4.40	0.75	0.86
22	E"	67	67	0.00	0.17	0.75	0.86
22	E"	67	67	0.00	0.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
Si2	0.000	1.735	0.000
Si3	-1.503	-0.868	0.000
Si4	1.503	-0.868	0.000
H5	-1.412	2.175	0.000
H6	-1.177	-2.310	0.000
H7	2.589	0.136	0.000
H8	0.680	2.273	1.196
H9	0.680	2.273	-1.196
H10	-2.308	-0.547	1.196
H11	-2.308	-0.547	-1.196
H12	1.628	-1.725	1.196
H13	1.628	-1.725	-1.196

	N1	Si2	Si3	Si4	H5	H6	H7	H8	H9	H10	H11	H12	H13
N1		1.7354	1.7354	1.7354	2.5930	2.5930	2.5930	2.6568	2.6568	2.6568	2.6568	2.6568	2.6568
Si2	1.7354		3.0057	3.0057	1.4789	4.2135	3.0438	1.4773	1.4773	3.4598	3.4598	4.0072	4.0072
Si3	1.7354	3.0057		3.0057	3.0438	1.4789	4.2135	4.0072	4.0072	1.4773	1.4773	3.4598	3.4598
Si4	1.7354	3.0057	3.0057		4.2135	3.0438	1.4789	3.4598	3.4598	4.0072	4.0072	1.4773	1.4773
H5	2.5930	1.4789	3.0438	4.2135		4.4912	4.4912	2.4120	2.4120	3.1056	3.1056	5.0876	5.0876
H6	2.5930	4.2135	1.4789	3.0438	4.4912		4.4912	5.0876	5.0876	2.4120	2.4120	3.1056	3.1056
H7	2.5930	3.0438	4.2135	1.4789	4.4912	4.4912		3.1056	3.1056	5.0876	5.0876	2.4120	2.4120
H8	2.6568	1.4773	4.0072	3.4598	2.4120	5.0876	3.1056		2.3930	4.1086	4.7547	4.1086	4.7547
H9	2.6568	1.4773	4.0072	3.4598	2.4120	5.0876	3.1056	2.3930		4.7547	4.1086	4.7547	4.1086
H10	2.6568	3.4598	1.4773	4.0072	3.1056	2.4120	5.0876	4.1086	4.7547		2.3930	4.1086	4.7547
H11	2.6568	3.4598	1.4773	4.0072	3.1056	2.4120	5.0876	4.7547	4.1086	2.3930		4.7547	4.1086
H12	2.6568	4.0072	3.4598	1.4773	5.0876	3.1056	2.4120	4.1086	4.7547	4.1086	4.7547		2.3930
H13	2.6568	4.0072	3.4598	1.4773	5.0876	3.1056	2.4120	4.7547	4.1086	4.7547	4.1086	2.3930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	Si2	H5	107.286	N1	Si2	H8	111.324
N1	Si2	H9	111.324	N1	Si3	H6	107.286
N1	Si3	H10	111.324	N1	Si3	H11	111.324
N1	Si4	H7	107.286	N1	Si4	H12	111.324
N1	Si4	H13	111.324	Si2	N1	Si3	120.000
Si2	N1	Si4	120.000	Si3	N1	Si4	120.000
H5	Si2	H8	109.355	H5	Si2	H9	109.355
H6	Si3	H10	109.355	H6	Si3	H11	109.355
H7	Si4	H12	109.355	H7	Si4	H13	109.355
H8	Si2	H9	108.171	H10	Si3	H11	108.171
H12	Si4	H13	108.171

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

using model chemistry: M06-2X/6-311+G(3df,2p)

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	-0.452
2	Si	0.218
3	Si	0.218
4	Si	0.218
5	H	-0.020
6	H	-0.020
7	H	-0.020
8	H	-0.024
9	H	-0.024
10	H	-0.024
11	H	-0.024
12	H	-0.024
13	H	-0.024

	x	y	z
x	13.199	0.003	0.000
y	0.003	13.193	0.000
z	0.000	0.000	11.077

<r²>	221.222
(<r²>)^1/2	14.874

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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