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	hartrees
Energy at 0K	-206.316784
Energy at 298.15K	-206.326834
HF Energy	-206.316784
Nuclear repulsion energy	136.861258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3457	3409	3.00
2	A	3357	3311	10.64
3	A	2970	2929	34.75
4	A	1598	1576	46.61
5	A	1329	1310	0.57
6	A	919	907	8.79
7	A	844	833	0.08
8	A	544	536	21.56
9	A	311	307	67.34
10	E	3457	3410	1.22
10	E	3457	3410	1.22
11	E	3362	3316	3.41
11	E	3362	3316	3.41
12	E	1612	1590	17.04
12	E	1612	1590	17.04
13	E	1372	1353	24.53
13	E	1372	1353	24.53
14	E	1190	1174	47.76
14	E	1190	1174	47.76
15	E	1019	1005	39.91
15	E	1019	1005	39.92
16	E	882	870	230.76
16	E	882	870	230.76
17	E	427	421	35.85
17	E	427	421	35.85
18	E	285	281	20.20
18	E	285	281	20.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.473
N3	0.000	1.406	-0.053
N4	1.218	-0.703	-0.053
N5	-1.218	-0.703	-0.053
H6	0.896	1.823	0.230
H7	1.130	-1.688	0.230
H8	-2.027	-0.135	0.230
H9	-0.005	1.437	-1.082
H10	1.247	-0.714	-1.082
H11	-1.242	-0.723	-1.082

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1071	1.4670	1.4670	1.4670	2.0357	2.0357	2.0357	2.0399	2.0399	2.0399
H2	1.1071		2.0747	2.0747	2.0747	2.3814	2.3814	2.3814	2.9312	2.9312	2.9312
N3	1.4670	2.0747		2.4353	2.4353	1.0281	3.3057	2.5616	1.0295	2.6664	2.6712
N4	1.4670	2.0747	2.4353		2.4353	2.5616	1.0281	3.3057	2.6712	1.0295	2.6664
N5	1.4670	2.0747	2.4353	2.4353		3.3057	2.5616	1.0281	2.6664	2.6712	1.0295
H6	2.0357	2.3814	1.0281	2.5616	3.3057		3.5180	3.5180	1.6375	2.8772	3.5742
H7	2.0357	2.3814	3.3057	1.0281	2.5616	3.5180		3.5180	3.5742	1.6375	2.8772
H8	2.0357	2.3814	2.5616	3.3057	1.0281	3.5180	3.5180		2.8772	3.5742	1.6375
H9	2.0399	2.9312	1.0295	2.6712	2.6664	1.6375	3.5742	2.8772		2.4895	2.4895
H10	2.0399	2.9312	2.6664	1.0295	2.6712	2.8772	1.6375	3.5742	2.4895		2.4895
H11	2.0399	2.9312	2.6712	2.6664	1.0295	3.5742	2.8772	1.6375	2.4895	2.4895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.057	C1	N3	H9	108.319
C1	N4	H7	108.057	C1	N4	H10	108.319
C1	N5	H8	108.057	C1	N5	H11	108.319
H2	C1	N3	106.576	H2	C1	N4	106.576
H2	C1	N5	106.576	N3	C1	N4	112.205
N3	C1	N5	112.205	N4	C1	N5	112.205
H6	N3	H9	105.469	H7	N4	H10	105.469
H8	N5	H11	105.469

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: PBEPBE/6-31G**

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	0.153
2	H	0.131
3	N	-0.560
4	N	-0.560
5	N	-0.560
6	H	0.246
7	H	0.246
8	H	0.246
9	H	0.219
10	H	0.219
11	H	0.219

<r²>	82.743
(<r²>)^1/2	9.096

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)