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	hartrees
Energy at 0K	-206.325299
Energy at 298.15K	-206.335511
HF Energy	-206.116136
Nuclear repulsion energy	137.606946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3561	3377	0.98
2	A	3462	3283	6.42
3	A	3106	2946	36.07
4	A	1698	1610	51.91
5	A	1395	1323	1.30
6	A	972	922	11.64
7	A	888	843	0.74
8	A	562	533	22.78
9	A	319	302	80.37
10	E	3561	3378	0.05
10	E	3561	3378	0.05
11	E	3465	3286	0.31
11	E	3465	3286	0.31
12	E	1710	1622	22.62
12	E	1710	1622	22.62
13	E	1452	1377	29.10
13	E	1452	1377	29.10
14	E	1249	1184	60.46
14	E	1249	1184	60.46
15	E	1070	1015	50.57
15	E	1070	1015	50.57
16	E	943	895	234.12
16	E	943	895	234.12
17	E	447	424	38.91
17	E	447	424	38.91
18	E	296	280	21.86
18	E	296	280	21.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.461
N3	0.000	1.398	-0.055
N4	1.210	-0.699	-0.055
N5	-1.210	-0.699	-0.055
H6	0.877	1.826	0.238
H7	1.142	-1.673	0.238
H8	-2.020	-0.153	0.238
H9	-0.007	1.438	-1.075
H10	1.249	-0.712	-1.075
H11	-1.242	-0.725	-1.075

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0944	1.4598	1.4598	1.4598	2.0296	2.0296	2.0296	2.0358	2.0358	2.0358
H2	1.0944		2.0617	2.0617	2.0617	2.3659	2.3659	2.3659	2.9148	2.9148	2.9148
N3	1.4598	2.0617		2.4209	2.4209	1.0193	3.2892	2.5632	1.0207	2.6558	2.6626
N4	1.4598	2.0617	2.4209		2.4209	2.5632	1.0193	3.2892	2.6626	1.0207	2.6558
N5	1.4598	2.0617	2.4209	2.4209		3.2892	2.5632	1.0193	2.6558	2.6626	1.0207
H6	2.0296	2.3659	1.0193	2.5632	3.2892		3.5084	3.5084	1.6302	2.8817	3.5668
H7	2.0296	2.3659	3.2892	1.0193	2.5632	3.5084		3.5084	3.5668	1.6302	2.8817
H8	2.0296	2.3659	2.5632	3.2892	1.0193	3.5084	3.5084		2.8817	3.5668	1.6302
H9	2.0358	2.9148	1.0207	2.6626	2.6558	1.6302	3.5668	2.8817		2.4906	2.4906
H10	2.0358	2.9148	2.6558	1.0207	2.6626	2.8817	1.6302	3.5668	2.4906		2.4906
H11	2.0358	2.9148	2.6626	2.6558	1.0207	3.5668	2.8817	1.6302	2.4906	2.4906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.601	C1	N3	H9	109.027
C1	N4	H7	108.601	C1	N4	H10	109.027
C1	N5	H8	108.601	C1	N5	H11	109.027
H2	C1	N3	106.770	H2	C1	N4	106.770
H2	C1	N5	106.770	N3	C1	N4	112.032
N3	C1	N5	112.032	N4	C1	N5	112.032
H6	N3	H9	106.088	H7	N4	H10	106.088
H8	N5	H11	106.088

All results from a given calculation for CH₇N₃ (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)