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	hartrees
Energy at 0K	-206.564295
Energy at 298.15K	-206.574251
HF Energy	-206.564295
Nuclear repulsion energy	136.215032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3432	3424	0.77
2	A	3344	3335	6.46
3	A	2960	2952	30.26
4	A	1605	1601	54.32
5	A	1312	1309	1.59
6	A	890	887	19.68
7	A	803	801	2.22
8	A	544	543	15.39
9	A	318	317	57.68
10	E	3432	3424	1.05
10	E	3432	3424	1.06
11	E	3347	3339	2.37
11	E	3347	3339	2.37
12	E	1611	1607	23.74
12	E	1611	1607	23.74
13	E	1374	1370	19.30
13	E	1374	1370	19.29
14	E	1173	1170	36.86
14	E	1173	1170	36.86
15	E	985	983	55.71
15	E	985	983	55.70
16	E	831	829	238.52
16	E	831	829	238.52
17	E	428	426	35.38
17	E	428	426	35.38
18	E	260	259	21.17
18	E	260	259	21.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.469
N3	0.000	1.413	-0.054
N4	1.223	-0.706	-0.054
N5	-1.223	-0.706	-0.054
H6	0.880	1.858	0.225
H7	1.169	-1.691	0.225
H8	-2.049	-0.167	0.225
H9	-0.063	1.476	-1.075
H10	1.310	-0.683	-1.075
H11	-1.247	-0.793	-1.075

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1004	1.4745	1.4745	1.4745	2.0606	2.0606	2.0606	2.0654	2.0654	2.0654
H2	1.1004		2.0770	2.0770	2.0770	2.4025	2.4025	2.4025	2.9416	2.9416	2.9416
N3	1.4745	2.0770		2.4470	2.4470	1.0245	3.3281	2.6023	1.0251	2.6743	2.7318
N4	1.4745	2.0770	2.4470		2.4470	2.6023	1.0245	3.3281	2.7318	1.0251	2.6743
N5	1.4745	2.0770	2.4470	2.4470		3.3281	2.6023	1.0245	2.6743	2.7318	1.0251
H6	2.0606	2.4025	1.0245	2.6023	3.3281		3.5605	3.5605	1.6509	2.8866	3.6385
H7	2.0606	2.4025	3.3281	1.0245	2.6023	3.5605		3.5605	3.6385	1.6509	2.8866
H8	2.0606	2.4025	2.6023	3.3281	1.0245	3.5605	3.5605		2.8866	3.6385	1.6509
H9	2.0654	2.9416	1.0251	2.7318	2.6743	1.6509	3.6385	2.8866		2.5591	2.5591
H10	2.0654	2.9416	2.6743	1.0251	2.7318	2.8866	1.6509	3.6385	2.5591		2.5591
H11	2.0654	2.9416	2.7318	2.6743	1.0251	3.6385	2.8866	1.6509	2.5591	2.5591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.782	C1	N3	H9	110.143
C1	N4	H7	109.782	C1	N4	H10	110.143
C1	N5	H8	109.782	C1	N5	H11	110.143
H2	C1	N3	106.633	H2	C1	N4	106.633
H2	C1	N5	106.633	N3	C1	N4	112.154
N3	C1	N5	112.154	N4	C1	N5	112.154
H6	N3	H9	107.304	H7	N4	H10	107.304
H8	N5	H11	107.304

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: BLYP/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	-0.104
2	H	0.144
3	N	-0.376
4	N	-0.376
5	N	-0.376
6	H	0.192
7	H	0.192
8	H	0.192
9	H	0.170
10	H	0.170
11	H	0.170

<r²>	84.350
(<r²>)^1/2	9.184

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)