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	hartrees
Energy at 0K	-206.009380
Energy at 298.15K	-206.019656
HF Energy	-205.317365
Nuclear repulsion energy	137.806301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3600	3439	0.59
2	A	3507	3349	7.44
3	A	3087	2949	34.06
4	A	1732	1654	65.66
5	A	1415	1352	1.52
6	A	996	952	14.88
7	A	907	867	0.82
8	A	566	541	23.07
9	A	317	303	78.37
10	E	3600	3438	0.07
10	E	3600	3438	0.07
11	E	3508	3351	0.25
11	E	3508	3351	0.25
12	E	1742	1664	33.94
12	E	1742	1664	33.94
13	E	1459	1394	28.21
13	E	1459	1394	28.21
14	E	1270	1213	59.40
14	E	1270	1213	59.40
15	E	1092	1043	49.29
15	E	1092	1043	49.29
16	E	971	928	232.97
16	E	971	928	232.97
17	E	454	433	40.71
17	E	454	433	40.71
18	E	293	280	23.74
18	E	293	280	23.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.465
N3	0.000	1.396	-0.055
N4	1.209	-0.698	-0.055
N5	-1.209	-0.698	-0.055
H6	0.874	1.822	0.234
H7	1.141	-1.668	0.234
H8	-2.015	-0.154	0.234
H9	-0.030	1.439	-1.071
H10	1.261	-0.693	-1.071
H11	-1.231	-0.746	-1.071

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0968	1.4585	1.4585	1.4585	2.0257	2.0257	2.0257	2.0347	2.0347	2.0347
H2	1.0968		2.0635	2.0635	2.0635	2.3662	2.3662	2.3662	2.9152	2.9152	2.9152
N3	1.4585	2.0635		2.4175	2.4175	1.0151	3.2826	2.5589	1.0168	2.6429	2.6705
N4	1.4585	2.0635	2.4175		2.4175	2.5589	1.0151	3.2826	2.6705	1.0168	2.6429
N5	1.4585	2.0635	2.4175	2.4175		3.2826	2.5589	1.0151	2.6429	2.6705	1.0168
H6	2.0257	2.3662	1.0151	2.5589	3.2826		3.5010	3.5010	1.6338	2.8602	3.5680
H7	2.0257	2.3662	3.2826	1.0151	2.5589	3.5010		3.5010	3.5680	1.6338	2.8602
H8	2.0257	2.3662	2.5589	3.2826	1.0151	3.5010	3.5010		2.8602	3.5680	1.6338
H9	2.0347	2.9152	1.0168	2.6705	2.6429	1.6338	3.5680	2.8602		2.4925	2.4925
H10	2.0347	2.9152	2.6429	1.0168	2.6705	2.8602	1.6338	3.5680	2.4925		2.4925
H11	2.0347	2.9152	2.6705	2.6429	1.0168	3.5680	2.8602	1.6338	2.4925	2.4925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.630	C1	N3	H9	109.275
C1	N4	H7	108.630	C1	N4	H10	109.275
C1	N5	H8	108.630	C1	N5	H11	109.275
H2	C1	N3	106.860	H2	C1	N4	106.860
H2	C1	N5	106.860	N3	C1	N4	111.951
N3	C1	N5	111.951	N4	C1	N5	111.951
H6	N3	H9	107.041	H7	N4	H10	107.041
H8	N5	H11	107.041

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CCD/6-311G*

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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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: CCD/6-311G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)