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	hartrees
Energy at 0K	-206.649824
Energy at 298.15K	-206.659910
HF Energy	-206.649824
Nuclear repulsion energy	137.495807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3553	3430	0.06
2	A	3464	3344	2.90
3	A	3042	2937	31.43
4	A	1650	1593	56.94
5	A	1350	1303	2.79
6	A	913	881	20.03
7	A	839	810	6.94
8	A	561	541	14.74
9	A	323	311	61.81
10	E	3554	3431	0.45
10	E	3554	3431	0.45
11	E	3466	3346	0.24
11	E	3466	3346	0.24
12	E	1655	1598	30.52
12	E	1655	1598	30.51
13	E	1419	1369	22.36
13	E	1419	1369	22.35
14	E	1213	1171	49.27
14	E	1213	1171	49.27
15	E	1030	994	55.20
15	E	1030	994	55.19
16	E	862	832	239.10
16	E	862	832	239.09
17	E	444	428	39.28
17	E	444	428	39.28
18	E	266	257	22.42
18	E	266	257	22.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.460
N3	0.000	1.398	-0.054
N4	1.210	-0.699	-0.054
N5	-1.210	-0.699	-0.054
H6	0.866	1.848	0.227
H7	1.167	-1.674	0.227
H8	-2.033	-0.174	0.227
H9	-0.070	1.467	-1.066
H10	1.305	-0.673	-1.066
H11	-1.235	-0.794	-1.066

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0936	1.4596	1.4596	1.4596	2.0452	2.0452	2.0452	2.0511	2.0511	2.0511
H2	1.0936		2.0607	2.0607	2.0607	2.3839	2.3839	2.3839	2.9215	2.9215	2.9215
N3	1.4596	2.0607		2.4209	2.4209	1.0154	3.2976	2.5851	1.0163	2.6482	2.7115
N4	1.4596	2.0607	2.4209		2.4209	2.5851	1.0154	3.2976	2.7115	1.0163	2.6482
N5	1.4596	2.0607	2.4209	2.4209		3.2976	2.5851	1.0154	2.6482	2.7115	1.0163
H6	2.0452	2.3839	1.0154	2.5851	3.2976		3.5341	3.5341	1.6409	2.8665	3.6143
H7	2.0452	2.3839	3.2976	1.0154	2.5851	3.5341		3.5341	3.6143	1.6409	2.8665
H8	2.0452	2.3839	2.5851	3.2976	1.0154	3.5341	3.5341		2.8665	3.6143	1.6409
H9	2.0511	2.9215	1.0163	2.7115	2.6482	1.6409	3.6143	2.8665		2.5432	2.5432
H10	2.0511	2.9215	2.6482	1.0163	2.7115	2.8665	1.6409	3.6143	2.5432		2.5432
H11	2.0511	2.9215	2.7115	2.6482	1.0163	3.6143	2.8665	1.6409	2.5432	2.5432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.149	C1	N3	H9	110.598
C1	N4	H7	110.149	C1	N4	H10	110.598
C1	N5	H8	110.149	C1	N5	H11	110.598
H2	C1	N3	106.750	H2	C1	N4	106.750
H2	C1	N5	106.750	N3	C1	N4	112.050
N3	C1	N5	112.050	N4	C1	N5	112.050
H6	N3	H9	107.726	H7	N4	H10	107.726
H8	N5	H11	107.726

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3LYP/TZVP

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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Number	Element	Mulliken
1	C	-0.090
2	H	0.143
3	N	-0.394
4	N	-0.394
5	N	-0.394
6	H	0.199
7	H	0.199
8	H	0.199
9	H	0.178
10	H	0.178
11	H	0.178

<r²>	82.881
(<r²>)^1/2	9.104

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)