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	hartrees
Energy at 0K	-206.574163
Energy at 298.15K	-206.584254
HF Energy	-206.574163
Nuclear repulsion energy	137.286832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3526	3380	3.49
2	A	3430	3289	9.70
3	A	3059	2933	39.06
4	A	1658	1590	45.91
5	A	1365	1308	1.01
6	A	941	902	10.07
7	A	863	827	0.42
8	A	543	521	23.30
9	A	308	295	73.01
10	E	3526	3380	0.91
10	E	3526	3380	0.91
11	E	3434	3292	2.44
11	E	3434	3292	2.44
12	E	1670	1601	18.04
12	E	1670	1601	18.05
13	E	1421	1362	25.96
13	E	1421	1362	25.95
14	E	1217	1167	57.17
14	E	1217	1167	57.17
15	E	1040	997	47.28
15	E	1040	997	47.29
16	E	910	872	230.63
16	E	910	872	230.61
17	E	429	412	38.08
17	E	429	412	38.08
18	E	283	271	20.26
18	E	283	271	20.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.463
N3	0.000	1.402	-0.055
N4	1.214	-0.701	-0.055
N5	-1.214	-0.701	-0.055
H6	0.881	1.826	0.239
H7	1.141	-1.676	0.239
H8	-2.022	-0.150	0.239
H9	-0.000	1.439	-1.077
H10	1.246	-0.719	-1.077
H11	-1.246	-0.719	-1.077

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0960	1.4639	1.4639	1.4639	2.0318	2.0318	2.0318	2.0379	2.0379	2.0379
H2	1.0960		2.0660	2.0660	2.0660	2.3687	2.3687	2.3687	2.9186	2.9186	2.9186
N3	1.4639	2.0660		2.4282	2.4282	1.0213	3.2960	2.5658	1.0225	2.6638	2.6638
N4	1.4639	2.0660	2.4282		2.4282	2.5658	1.0213	3.2960	2.6638	1.0225	2.6638
N5	1.4639	2.0660	2.4282	2.4282		3.2960	2.5658	1.0213	2.6638	2.6638	1.0225
H6	2.0318	2.3687	1.0213	2.5658	3.2960		3.5122	3.5122	1.6301	2.8882	3.5685
H7	2.0318	2.3687	3.2960	1.0213	2.5658	3.5122		3.5122	3.5685	1.6301	2.8882
H8	2.0318	2.3687	2.5658	3.2960	1.0213	3.5122	3.5122		2.8882	3.5685	1.6301
H9	2.0379	2.9186	1.0225	2.6638	2.6638	1.6301	3.5685	2.8882		2.4916	2.4916
H10	2.0379	2.9186	2.6638	1.0225	2.6638	2.8882	1.6301	3.5685	2.4916		2.4916
H11	2.0379	2.9186	2.6638	2.6638	1.0225	3.5685	2.8882	1.6301	2.4916	2.4916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.367	C1	N3	H9	108.787
C1	N4	H7	108.367	C1	N4	H10	108.787
C1	N5	H8	108.367	C1	N5	H11	108.787
H2	C1	N3	106.736	H2	C1	N4	106.736
H2	C1	N5	106.736	N3	C1	N4	112.062
N3	C1	N5	112.062	N4	C1	N5	112.062
H6	N3	H9	105.796	H7	N4	H10	105.796
H8	N5	H11	105.796

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: TPSSh/6-31G**

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	C	0.202
2	H	0.141
3	N	-0.603
4	N	-0.603
5	N	-0.603
6	H	0.258
7	H	0.258
8	H	0.258
9	H	0.231
10	H	0.231
11	H	0.231

<r²>	82.357
(<r²>)^1/2	9.075

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: TPSSh/6-31G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)