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	hartrees
Energy at 0K	-206.360310
Energy at 298.15K
HF Energy	-206.137959
Nuclear repulsion energy	137.763807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3596	3596	0.61
2	A	3496	3496	5.57
3	A	3098	3098	37.52
4	A	1670	1670	48.46
5	A	1382	1382	1.63
6	A	955	955	12.78
7	A	881	881	0.10
8	A	559	559	21.58
9	A	315	315	74.87
10	E	3597	3597	0.07
10	E	3597	3597	0.08
11	E	3500	3500	0.21
11	E	3500	3500	0.21
12	E	1683	1683	22.25
12	E	1683	1683	22.25
13	E	1443	1443	28.19
13	E	1443	1443	28.19
14	E	1239	1239	58.80
14	E	1239	1239	58.80
15	E	1063	1063	44.96
15	E	1063	1063	44.96
16	E	925	925	233.22
16	E	925	925	233.22
17	E	446	446	38.99
17	E	446	446	38.99
18	E	290	290	20.61
18	E	290	290	20.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.461
N3	0.000	1.397	-0.055
N4	1.209	-0.698	-0.055
N5	-1.209	-0.698	-0.055
H6	0.876	1.824	0.235
H7	1.141	-1.670	0.235
H8	-2.017	-0.153	0.235
H9	-0.012	1.436	-1.072
H10	1.250	-0.708	-1.072
H11	-1.238	-0.728	-1.072

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0937	1.4588	1.4588	1.4588	2.0273	2.0273	2.0273	2.0330	2.0330	2.0330
H2	1.0937		2.0607	2.0607	2.0607	2.3653	2.3653	2.3653	2.9115	2.9115	2.9115
N3	1.4588	2.0607		2.4189	2.4189	1.0167	3.2852	2.5602	1.0181	2.6505	2.6613
N4	1.4588	2.0607	2.4189		2.4189	2.5602	1.0167	3.2852	2.6613	1.0181	2.6505
N5	1.4588	2.0607	2.4189	2.4189		3.2852	2.5602	1.0167	2.6505	2.6613	1.0181
H6	2.0273	2.3653	1.0167	2.5602	3.2852		3.5039	3.5039	1.6269	2.8733	3.5622
H7	2.0273	2.3653	3.2852	1.0167	2.5602	3.5039		3.5039	3.5622	1.6269	2.8733
H8	2.0273	2.3653	2.5602	3.2852	1.0167	3.5039	3.5039		2.8733	3.5622	1.6269
H9	2.0330	2.9115	1.0181	2.6613	2.6505	1.6269	3.5622	2.8733		2.4877	2.4877
H10	2.0330	2.9115	2.6505	1.0181	2.6613	2.8733	1.6269	3.5622	2.4877		2.4877
H11	2.0330	2.9115	2.6613	2.6505	1.0181	3.5622	2.8733	1.6269	2.4877	2.4877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.642	C1	N3	H9	109.032
C1	N4	H7	108.642	C1	N4	H10	109.032
C1	N5	H8	108.642	C1	N5	H11	109.032
H2	C1	N3	106.799	H2	C1	N4	106.799
H2	C1	N5	106.799	N3	C1	N4	112.006
N3	C1	N5	112.006	N4	C1	N5	112.006
H6	N3	H9	106.173	H7	N4	H10	106.173
H8	N5	H11	106.173

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)