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	hartrees
Energy at 0K	-206.146027
Energy at 298.15K	-206.156271
HF Energy	-205.302984
Nuclear repulsion energy	138.339680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3412	0.19
2	A	3532	3326	1.31
3	A	3116	2934	30.05
4	A	1687	1588	48.40
5	A	1394	1313	1.84
6	A	976	919	11.54
7	A	902	849	0.22
8	A	565	532	19.08
9	A	312	294	68.78
10	E	3624	3412	0.84
10	E	3624	3412	0.84
11	E	3535	3328	0.31
11	E	3535	3328	0.31
12	E	1698	1599	25.34
12	E	1698	1599	25.34
13	E	1461	1376	25.81
13	E	1461	1376	25.81
14	E	1265	1192	57.59
14	E	1265	1192	57.59
15	E	1089	1025	31.88
15	E	1089	1025	31.88
16	E	953	897	213.76
16	E	953	897	213.76
17	E	452	426	35.44
17	E	452	426	35.44
18	E	288	272	19.52
18	E	288	272	19.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.463
N3	0.000	1.390	-0.055
N4	1.203	-0.695	-0.055
N5	-1.203	-0.695	-0.055
H6	0.880	1.811	0.222
H7	1.129	-1.668	0.222
H8	-2.009	-0.144	0.222
H9	-0.016	1.421	-1.069
H10	1.238	-0.697	-1.069
H11	-1.222	-0.724	-1.069

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0919	1.4534	1.4534	1.4534	2.0192	2.0192	2.0192	2.0232	2.0232	2.0232
H2	1.0919		2.0578	2.0578	2.0578	2.3656	2.3656	2.3656	2.9037	2.9037	2.9037
N3	1.4534	2.0578		2.4069	2.4069	1.0140	3.2706	2.5421	1.0152	2.6297	2.6441
N4	1.4534	2.0578	2.4069		2.4069	2.5421	1.0140	3.2706	2.6441	1.0152	2.6297
N5	1.4534	2.0578	2.4069	2.4069		3.2706	2.5421	1.0140	2.6297	2.6441	1.0152
H6	2.0192	2.3656	1.0140	2.5421	3.2706		3.4878	3.4878	1.6190	2.8435	3.5375
H7	2.0192	2.3656	3.2706	1.0140	2.5421	3.4878		3.4878	3.5375	1.6190	2.8435
H8	2.0192	2.3656	2.5421	3.2706	1.0140	3.4878	3.4878		2.8435	3.5375	1.6190
H9	2.0232	2.9037	1.0152	2.6441	2.6297	1.6190	3.5375	2.8435		2.4609	2.4609
H10	2.0232	2.9037	2.6297	1.0152	2.6441	2.8435	1.6190	3.5375	2.4609		2.4609
H11	2.0232	2.9037	2.6441	2.6297	1.0152	3.5375	2.8435	1.6190	2.4609	2.4609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.533	C1	N3	H9	108.791
C1	N4	H7	108.533	C1	N4	H10	108.791
C1	N5	H8	108.533	C1	N5	H11	108.791
H2	C1	N3	107.037	H2	C1	N4	107.037
H2	C1	N5	107.037	N3	C1	N4	111.792
N3	C1	N5	111.792	N4	C1	N5	111.792
H6	N3	H9	105.854	H7	N4	H10	105.854
H8	N5	H11	105.854

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)