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	hartrees
Energy at 0K	-206.379388
Energy at 298.15K	-206.389492
HF Energy	-206.152389
Nuclear repulsion energy	137.545452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3439	1.74
2	A	3510	3338	3.24
3	A	3104	2952	27.03
4	A	1669	1587	66.16
5	A	1360	1293	2.92
6	A	922	877	21.46
7	A	856	814	10.40
8	A	561	534	13.23
9	A	321	306	66.24
10	E	3616	3439	1.71
10	E	3616	3439	1.71
11	E	3514	3342	0.29
11	E	3514	3342	0.29
12	E	1678	1596	34.97
12	E	1678	1596	34.97
13	E	1431	1361	28.35
13	E	1431	1361	28.35
14	E	1226	1165	60.25
14	E	1225	1165	60.24
15	E	1048	996	58.11
15	E	1048	996	58.11
16	E	879	836	232.40
16	E	879	836	232.41
17	E	447	425	43.19
17	E	447	425	43.21
18	E	268	255	26.33
18	E	268	255	26.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.459
N3	0.000	1.397	-0.055
N4	1.210	-0.698	-0.055
N5	-1.210	-0.698	-0.055
H6	0.865	1.846	0.231
H7	1.166	-1.672	0.231
H8	-2.031	-0.173	0.231
H9	-0.068	1.468	-1.067
H10	1.305	-0.675	-1.067
H11	-1.237	-0.793	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0928	1.4587	1.4587	1.4587	2.0431	2.0431	2.0431	2.0525	2.0525	2.0525
H2	1.0928		2.0597	2.0597	2.0597	2.3801	2.3801	2.3801	2.9223	2.9223	2.9223
N3	1.4587	2.0597		2.4190	2.4190	1.0161	3.2954	2.5832	1.0170	2.6491	2.7108
N4	1.4587	2.0597	2.4190		2.4190	2.5832	1.0161	3.2954	2.7107	1.0170	2.6491
N5	1.4587	2.0597	2.4190	2.4190		3.2954	2.5832	1.0161	2.6491	2.7107	1.0170
H6	2.0431	2.3801	1.0161	2.5832	3.2954		3.5310	3.5310	1.6430	2.8689	3.6148
H7	2.0431	2.3801	3.2954	1.0161	2.5832	3.5310		3.5310	3.6148	1.6430	2.8689
H8	2.0431	2.3801	2.5832	3.2954	1.0161	3.5310	3.5310		2.8689	3.6148	1.6430
H9	2.0525	2.9223	1.0170	2.7107	2.6491	1.6430	3.6148	2.8689		2.5446	2.5446
H10	2.0525	2.9223	2.6491	1.0170	2.7107	2.8689	1.6430	3.6148	2.5446		2.5446
H11	2.0525	2.9223	2.7108	2.6491	1.0170	3.6148	2.8689	1.6430	2.5446	2.5446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.007	C1	N3	H9	110.739
C1	N4	H7	110.007	C1	N4	H10	110.739
C1	N5	H8	110.007	C1	N5	H11	110.739
H2	C1	N3	106.779	H2	C1	N4	106.779
H2	C1	N5	106.779	N3	C1	N4	112.024
N3	C1	N5	112.024	N4	C1	N5	112.024
H6	N3	H9	107.828	H7	N4	H10	107.828
H8	N5	H11	107.828

All results from a given calculation for CH₇N₃ (triaminomethane)

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

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/6-31+G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)