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	hartrees
Energy at 0K	-213.667406
Energy at 298.15K	-213.679969
HF Energy	-213.667406
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3350	3284	9.28
2	A'	3084	3024	62.22
3	A'	3058	2998	86.91
4	A'	3043	2984	14.70
5	A'	2989	2931	3.67
6	A'	2969	2911	35.91
7	A'	1668	1635	23.00
8	A'	1518	1488	5.48
9	A'	1498	1469	1.92
10	A'	1483	1454	0.15
11	A'	1420	1393	2.95
12	A'	1389	1362	6.12
13	A'	1264	1239	18.57
14	A'	1224	1200	33.87
15	A'	1052	1031	17.25
16	A'	951	932	31.65
17	A'	902	884	21.46
18	A'	886	869	78.38
19	A'	731	717	1.69
20	A'	443	434	7.96
21	A'	410	402	0.12
22	A'	331	325	1.11
23	A'	253	248	0.01
24	A"	3443	3375	5.28
25	A"	3078	3018	0.72
26	A"	3054	2994	38.04
27	A"	3045	2986	24.42
28	A"	2982	2924	56.75
29	A"	1508	1478	4.01
30	A"	1488	1459	0.01
31	A"	1478	1449	0.00
32	A"	1395	1368	7.89
33	A"	1345	1319	2.06
34	A"	1124	1102	2.76
35	A"	1003	983	1.40
36	A"	950	931	0.01
37	A"	919	901	0.18
38	A"	447	438	7.11
39	A"	340	334	9.87
40	A"	301	295	31.09
41	A"	275	270	0.56
42	A"	194	191	2.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.012	0.000
N2	-0.551	1.395	0.000
C3	1.533	-0.022	0.000
C4	-0.551	-0.687	1.261
C5	-0.551	-0.687	-1.261
H6	-0.168	1.888	-0.813
H7	-0.168	1.888	0.813
H8	1.920	-1.053	0.000
H9	1.932	0.488	-0.891
H10	1.932	0.488	0.891
H11	-0.182	-0.189	2.172
H12	-0.182	-0.189	-2.172
H13	-1.649	-0.655	1.275
H14	-0.225	-1.737	1.296
H15	-1.649	-0.655	-1.275
H16	-0.225	-1.737	-1.296

	C1	N2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4839	1.5459	1.5387	1.5387	2.0506	2.0506	2.2066	2.1916	2.1916	2.1875	2.1875	2.1785	2.1869	2.1785	2.1869
N2	1.4839		2.5195	2.4338	2.4338	1.0254	1.0254	3.4779	2.7893	2.7893	2.7132	2.7132	2.6516	3.4047	2.6516	3.4047
C3	1.5459	2.5195		2.5246	2.5246	2.6833	2.6833	1.1015	1.1016	1.1016	2.7720	2.7720	3.4854	2.7768	3.4854	2.7768
C4	1.5387	2.4338	2.5246		2.5215	3.3284	2.6415	2.7979	3.4895	2.7717	1.1018	3.4879	1.0984	1.0996	2.7631	2.7832
C5	1.5387	2.4338	2.5246	2.5215		2.6415	3.3284	2.7979	2.7717	3.4895	3.4879	1.1018	2.7631	2.7832	1.0984	1.0996
H6	2.0506	1.0254	2.6833	3.3284	2.6415		1.6264	3.6971	2.5247	3.0451	3.6365	2.4819	3.6082	4.1941	2.9786	3.6570
H7	2.0506	1.0254	2.6833	2.6415	3.3284	1.6264		3.6971	3.0451	2.5247	2.4819	3.6365	2.9786	3.6570	3.6082	4.1941
H8	2.2066	3.4779	1.1015	2.7979	2.7979	3.6971	3.6971		1.7804	1.7804	3.1432	3.1432	3.8104	2.5977	3.8104	2.5977
H9	2.1916	2.7893	1.1016	3.4895	2.7717	2.5247	3.0451	1.7804		1.7823	3.7826	2.5626	4.3381	3.7930	3.7783	3.1251
H10	2.1916	2.7893	1.1016	2.7717	3.4895	3.0451	2.5247	1.7804	1.7823		2.5626	3.7826	3.7783	3.1251	4.3381	3.7930
H11	2.1875	2.7132	2.7720	1.1018	3.4879	3.6365	2.4819	3.1432	3.7826	2.5626		4.3434	1.7814	1.7784	3.7745	3.7978
H12	2.1875	2.7132	2.7720	3.4879	1.1018	2.4819	3.6365	3.1432	2.5626	3.7826	4.3434		3.7745	3.7978	1.7814	1.7784
H13	2.1785	2.6516	3.4854	1.0984	2.7631	3.6082	2.9786	3.8104	4.3381	3.7783	1.7814	3.7745		1.7883	2.5495	3.1318
H14	2.1869	3.4047	2.7768	1.0996	2.7832	4.1941	3.6570	2.5977	3.7930	3.1251	1.7784	3.7978	1.7883		3.1318	2.5927
H15	2.1785	2.6516	3.4854	2.7631	1.0984	2.9786	3.6082	3.8104	3.7783	4.3381	3.7745	1.7814	2.5495	3.1318		1.7883
H16	2.1869	3.4047	2.7768	2.7832	1.0996	3.6570	4.1941	2.5977	3.1251	3.7930	3.7978	1.7784	3.1318	2.5927	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.227	C1	N2	H7	108.227
C1	C3	H8	111.822	C1	C3	H9	110.622
C1	C3	H10	110.622	C1	C4	H11	110.797
C1	C4	H13	110.286	C1	C4	H14	110.879
C1	C5	H12	110.797	C1	C5	H15	110.286
N2	C1	C3	112.508	N2	C1	C4	107.247
N2	C1	C5	107.247	C3	C1	C4	109.863
C3	C1	C5	109.863	C4	C1	C5	110.043
H6	N2	H7	104.954	H8	C3	H9	107.823
H8	C3	H10	107.823	H9	C3	H10	107.984
H11	C4	H13	108.120	H11	C4	H14	107.771
H12	C5	H15	108.120	H13	C4	H14	108.898

All results from a given calculation for C(CH₃)₃NH₂ (2-Propanamine, 2-methyl-)

using model chemistry: B97D3/6-31G*

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	0.167
2	N	-0.692
3	C	-0.450
4	C	-0.441
5	C	-0.441
6	H	0.285
7	H	0.285
8	H	0.142
9	H	0.136
10	H	0.136
11	H	0.135
12	H	0.135
13	H	0.160
14	H	0.142
15	H	0.160
16	H	0.142

	x	y	z	Total
	1.280	0.091	0.000	1.283
CHELPG
AIM
ESP

	x	y	z
x	7.423	0.044	0.000
y	0.044	7.801	0.000
z	0.000	0.000	7.868

<r²>	130.771
(<r²>)^1/2	11.436

All results from a given calculation for C(CH3)3NH2 (2-Propanamine, 2-methyl-)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C(CH₃)₃NH₂ (2-Propanamine, 2-methyl-)