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	hartrees
Energy at 0K	-206.628362
Energy at 298.15K	-206.638466
HF Energy	-206.628362
Nuclear repulsion energy	137.349089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3515	3515	1.94
2	A	3428	3428	8.29
3	A	3044	3044	36.15
4	A	1650	1650	51.52
5	A	1358	1358	0.92
6	A	932	932	13.99
7	A	858	858	0.01
8	A	545	545	21.02
9	A	315	315	61.76
10	E	3515	3515	0.96
10	E	3515	3515	0.96
11	E	3432	3432	1.85
11	E	3432	3432	1.85
12	E	1660	1660	22.26
12	E	1660	1660	22.27
13	E	1415	1415	20.69
13	E	1415	1415	20.68
14	E	1213	1213	50.48
14	E	1213	1213	50.47
15	E	1034	1034	52.70
15	E	1034	1034	52.71
16	E	899	899	222.51
16	E	899	899	222.49
17	E	427	427	37.62
17	E	427	427	37.62
18	E	280	280	21.47
18	E	280	280	21.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
H2	0.000	0.000	1.464
N3	0.000	1.401	-0.054
N4	1.213	-0.700	-0.054
N5	-1.213	-0.700	-0.054
H6	0.882	1.829	0.226
H7	1.143	-1.678	0.226
H8	-2.025	-0.151	0.226
H9	-0.026	1.440	-1.074
H10	1.260	-0.698	-1.074
H11	-1.234	-0.743	-1.074

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0946	1.4637	1.4637	1.4637	2.0353	2.0353	2.0353	2.0393	2.0393	2.0393
H2	1.0946		2.0662	2.0662	2.0662	2.3782	2.3782	2.3782	2.9184	2.9184	2.9184
N3	1.4637	2.0662		2.4264	2.4264	1.0194	3.2961	2.5662	1.0205	2.6516	2.6752
N4	1.4637	2.0662	2.4264		2.4264	2.5662	1.0194	3.2961	2.6752	1.0205	2.6516
N5	1.4637	2.0662	2.4264	2.4264		3.2961	2.5662	1.0194	2.6516	2.6752	1.0205
H6	2.0353	2.3782	1.0194	2.5662	3.2961		3.5165	3.5165	1.6323	2.8662	3.5747
H7	2.0353	2.3782	3.2961	1.0194	2.5662	3.5165		3.5165	3.5747	1.6323	2.8662
H8	2.0353	2.3782	2.5662	3.2961	1.0194	3.5165	3.5165		2.8662	3.5747	1.6323
H9	2.0393	2.9184	1.0205	2.6752	2.6516	1.6323	3.5747	2.8662		2.4948	2.4948
H10	2.0393	2.9184	2.6516	1.0205	2.6752	2.8662	1.6323	3.5747	2.4948		2.4948
H11	2.0393	2.9184	2.6752	2.6516	1.0205	3.5747	2.8662	1.6323	2.4948	2.4948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.786	C1	N3	H9	109.041
C1	N4	H7	108.786	C1	N4	H10	109.041
C1	N5	H8	108.786	C1	N5	H11	109.041
H2	C1	N3	106.843	H2	C1	N4	106.843
H2	C1	N5	106.843	N3	C1	N4	111.967
N3	C1	N5	111.967	N4	C1	N5	111.966
H6	N3	H9	106.290	H7	N4	H10	106.290
H8	N5	H11	106.290

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: TPSSh/6-311G**

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	0.138
2	H	0.128
3	N	-0.452
4	N	-0.452
5	N	-0.452
6	H	0.196
7	H	0.196
8	H	0.196
9	H	0.166
10	H	0.166
11	H	0.166

<r²>	82.480
(<r²>)^1/2	9.082

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)