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	hartrees
Energy at 0K	-206.211225
Energy at 298.15K	-206.221331
HF Energy	-205.360963
Nuclear repulsion energy	138.019551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3600	3434	1.99
2	A	3509	3346	1.87
3	A	3082	2940	23.79
4	A	1661	1584	50.22
5	A	1370	1306	1.72
6	A	940	896	18.23
7	A	873	833	2.64
8	A	558	532	13.00
9	A	302	288	60.20
10	E	3601	3434	1.44
10	E	3601	3434	1.44
11	E	3512	3349	0.90
11	E	3512	3349	0.90
12	E	1672	1594	28.85
12	E	1672	1594	28.85
13	E	1441	1374	23.05
13	E	1441	1374	23.05
14	E	1240	1182	53.44
14	E	1240	1182	53.44
15	E	1067	1017	40.46
15	E	1067	1017	40.46
16	E	909	867	192.33
16	E	909	867	192.33
17	E	448	427	38.41
17	E	448	427	38.41
18	E	258	246	19.75
18	E	258	246	19.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.464
N3	0.000	1.392	-0.055
N4	1.205	-0.696	-0.055
N5	-1.205	-0.696	-0.055
H6	0.873	1.829	0.218
H7	1.148	-1.671	0.218
H8	-2.021	-0.159	0.218
H9	-0.051	1.441	-1.067
H10	1.274	-0.677	-1.067
H11	-1.223	-0.764	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0920	1.4556	1.4556	1.4556	2.0328	2.0328	2.0328	2.0376	2.0376	2.0376
H2	1.0920		2.0598	2.0598	2.0598	2.3791	2.3791	2.3791	2.9134	2.9134	2.9134
N3	1.4556	2.0598		2.4104	2.4104	1.0141	3.2818	2.5616	1.0152	2.6318	2.6777
N4	1.4556	2.0598	2.4104		2.4104	2.5616	1.0141	3.2818	2.6777	1.0152	2.6318
N5	1.4556	2.0598	2.4104	2.4104		3.2818	2.5616	1.0141	2.6318	2.6777	1.0152
H6	2.0328	2.3791	1.0141	2.5616	3.2818		3.5109	3.5109	1.6301	2.8452	3.5742
H7	2.0328	2.3791	3.2818	1.0141	2.5616	3.5109		3.5109	3.5742	1.6301	2.8452
H8	2.0328	2.3791	2.5616	3.2818	1.0141	3.5109	3.5109		2.8452	3.5742	1.6301
H9	2.0376	2.9134	1.0152	2.6777	2.6318	1.6301	3.5742	2.8452		2.4980	2.4980
H10	2.0376	2.9134	2.6318	1.0152	2.6777	2.8452	1.6301	3.5742	2.4980		2.4980
H11	2.0376	2.9134	2.6777	2.6318	1.0152	3.5742	2.8452	1.6301	2.4980	2.4980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.495	C1	N3	H9	109.827
C1	N4	H7	109.495	C1	N4	H10	109.827
C1	N5	H8	109.495	C1	N5	H11	109.827
H2	C1	N3	107.043	H2	C1	N4	107.043
H2	C1	N5	107.043	N3	C1	N4	111.787
N3	C1	N5	111.787	N4	C1	N5	111.787
H6	N3	H9	106.887	H7	N4	H10	106.887
H8	N5	H11	106.887

All results from a given calculation for CH₇N₃ (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)