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	hartrees
Energy at 0K	-206.209889
Energy at 298.15K	-206.219999
HF Energy	-205.361015
Nuclear repulsion energy	138.051963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3604	3399	2.14
2	A	3513	3313	1.69
3	A	3086	2910	23.72
4	A	1662	1568	50.04
5	A	1371	1293	1.81
6	A	941	887	18.17
7	A	875	825	2.71
8	A	558	527	13.09
9	A	301	284	60.85
10	E	3604	3399	1.57
10	E	3604	3399	1.57
11	E	3516	3316	0.98
11	E	3516	3316	0.98
12	E	1673	1578	29.18
12	E	1673	1578	29.18
13	E	1442	1360	23.14
13	E	1442	1360	23.14
14	E	1241	1171	53.85
14	E	1241	1171	53.85
15	E	1068	1008	40.00
15	E	1068	1008	40.00
16	E	910	858	192.64
16	E	910	858	192.64
17	E	449	423	38.56
17	E	449	423	38.56
18	E	259	244	19.79
18	E	259	244	19.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.464
N3	0.000	1.391	-0.055
N4	1.205	-0.696	-0.055
N5	-1.205	-0.696	-0.055
H6	0.872	1.829	0.219
H7	1.148	-1.670	0.219
H8	-2.020	-0.159	0.219
H9	-0.050	1.441	-1.067
H10	1.273	-0.678	-1.067
H11	-1.223	-0.764	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0918	1.4552	1.4552	1.4552	2.0323	2.0323	2.0323	2.0372	2.0372	2.0372
H2	1.0918		2.0593	2.0593	2.0593	2.3781	2.3781	2.3781	2.9128	2.9128	2.9128
N3	1.4552	2.0593		2.4098	2.4098	1.0139	3.2811	2.5614	1.0150	2.6318	2.6768
N4	1.4552	2.0593	2.4098		2.4098	2.5614	1.0139	3.2811	2.6768	1.0150	2.6318
N5	1.4552	2.0593	2.4098	2.4098		3.2811	2.5614	1.0139	2.6318	2.6768	1.0150
H6	2.0323	2.3781	1.0139	2.5614	3.2811		3.5102	3.5102	1.6297	2.8462	3.5735
H7	2.0323	2.3781	3.2811	1.0139	2.5614	3.5102		3.5102	3.5735	1.6297	2.8462
H8	2.0323	2.3781	2.5614	3.2811	1.0139	3.5102	3.5102		2.8462	3.5735	1.6297
H9	2.0372	2.9128	1.0150	2.6768	2.6318	1.6297	3.5735	2.8462		2.4978	2.4978
H10	2.0372	2.9128	2.6318	1.0150	2.6768	2.8462	1.6297	3.5735	2.4978		2.4978
H11	2.0372	2.9128	2.6768	2.6318	1.0150	3.5735	2.8462	1.6297	2.4978	2.4978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.497	C1	N3	H9	109.841
C1	N4	H7	109.497	C1	N4	H10	109.841
C1	N5	H8	109.497	C1	N5	H11	109.841
H2	C1	N3	107.041	H2	C1	N4	107.041
H2	C1	N5	107.041	N3	C1	N4	111.788
N3	C1	N5	111.788	N4	C1	N5	111.788
H6	N3	H9	106.883	H7	N4	H10	106.883
H8	N5	H11	106.883

All results from a given calculation for CH₇N₃ (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)