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	hartrees
Energy at 0K	-206.408214
Energy at 298.15K
HF Energy	-206.169970
Nuclear repulsion energy	137.751643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3579	3579	1.33
2	A	3487	3487	9.52
3	A	3086	3086	37.58
4	A	1712	1712	66.22
5	A	1392	1392	1.06
6	A	964	964	17.15
7	A	883	883	0.06
8	A	560	560	20.91
9	A	322	322	72.18
10	E	3579	3579	0.30
10	E	3579	3579	0.30
11	E	3490	3490	1.10
11	E	3490	3490	1.10
12	E	1723	1723	31.24
12	E	1723	1723	31.24
13	E	1445	1445	24.03
13	E	1445	1445	24.03
14	E	1246	1246	54.83
14	E	1246	1246	54.83
15	E	1063	1063	58.65
15	E	1063	1063	58.65
16	E	931	931	246.33
16	E	931	931	246.33
17	E	445	445	40.70
17	E	445	445	40.69
18	E	287	287	24.02
18	E	287	287	24.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.460
N3	0.000	1.397	-0.054
N4	1.210	-0.698	-0.054
N5	-1.210	-0.698	-0.054
H6	0.874	1.826	0.230
H7	1.144	-1.670	0.230
H8	-2.019	-0.156	0.230
H9	-0.038	1.445	-1.069
H10	1.271	-0.689	-1.069
H11	-1.232	-0.756	-1.069

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0932	1.4588	1.4588	1.4588	2.0295	2.0295	2.0295	2.0373	2.0373	2.0373
H2	1.0932		2.0600	2.0600	2.0600	2.3691	2.3691	2.3691	2.9127	2.9127	2.9127
N3	1.4588	2.0600		2.4192	2.4192	1.0149	3.2861	2.5627	1.0163	2.6450	2.6799
N4	1.4588	2.0600	2.4192		2.4192	2.5627	1.0149	3.2861	2.6799	1.0164	2.6450
N5	1.4588	2.0600	2.4192	2.4192		3.2861	2.5627	1.0149	2.6450	2.6799	1.0163
H6	2.0295	2.3691	1.0149	2.5627	3.2861		3.5072	3.5072	1.6326	2.8587	3.5768
H7	2.0295	2.3691	3.2861	1.0149	2.5627	3.5072		3.5072	3.5768	1.6326	2.8587
H8	2.0295	2.3691	2.5627	3.2861	1.0149	3.5072	3.5072		2.8587	3.5768	1.6326
H9	2.0373	2.9127	1.0163	2.6799	2.6450	1.6326	3.5768	2.8587		2.5041	2.5041
H10	2.0373	2.9127	2.6450	1.0164	2.6799	2.8587	1.6326	3.5768	2.5041		2.5041
H11	2.0373	2.9127	2.6799	2.6450	1.0163	3.5768	2.8587	1.6326	2.5041	2.5041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.931	C1	N3	H9	109.495
C1	N4	H7	108.931	C1	N4	H10	109.495
C1	N5	H8	108.931	C1	N5	H11	109.495
H2	C1	N3	106.772	H2	C1	N4	106.772
H2	C1	N5	106.772	N3	C1	N4	112.030
N3	C1	N5	112.030	N4	C1	N5	112.030
H6	N3	H9	106.979	H7	N4	H10	106.979
H8	N5	H11	106.979

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/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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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/6-311G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)