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	hartrees
Energy at 0K	-213.685940
Energy at 298.15K	-213.698634
HF Energy	-213.685940
Nuclear repulsion energy	199.983569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3466	3282	1.64
2	A'	3168	3000	39.13
3	A'	3144	2978	60.01
4	A'	3135	2969	5.47
5	A'	3071	2909	2.12
6	A'	3055	2893	21.07
7	A'	1696	1606	32.54
8	A'	1544	1463	6.94
9	A'	1525	1444	1.73
10	A'	1509	1429	0.14
11	A'	1448	1371	5.60
12	A'	1419	1344	14.23
13	A'	1310	1241	15.34
14	A'	1274	1206	35.78
15	A'	1069	1012	16.10
16	A'	977	925	1.64
17	A'	940	890	66.56
18	A'	924	875	76.92
19	A'	767	727	1.04
20	A'	455	431	8.60
21	A'	418	396	0.15
22	A'	340	322	1.08
23	A'	257	243	0.01
24	A"	3555	3367	0.49
25	A"	3163	2996	0.34
26	A"	3141	2974	25.24
27	A"	3133	2967	17.44
28	A"	3066	2904	36.43
29	A"	1534	1453	4.72
30	A"	1513	1433	0.00
31	A"	1503	1423	0.01
32	A"	1430	1355	14.29
33	A"	1374	1302	0.27
34	A"	1145	1084	2.03
35	A"	1024	970	1.14
36	A"	962	911	0.09
37	A"	950	900	0.55
38	A"	457	433	9.35
39	A"	352	333	15.73
40	A"	318	301	27.88
41	A"	272	257	0.36
42	A"	186	176	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	0.013	0.000
N2	-0.546	1.382	0.000
C3	1.523	-0.020	0.000
C4	-0.546	-0.683	1.251
C5	-0.546	-0.683	-1.251
H6	-0.184	1.881	-0.814
H7	-0.184	1.881	0.814
H8	1.905	-1.047	0.000
H9	1.919	0.488	-0.887
H10	1.919	0.488	0.887
H11	-0.182	-0.184	2.158
H12	-0.182	-0.184	-2.158
H13	-1.639	-0.653	1.260
H14	-0.218	-1.727	1.288
H15	-1.639	-0.653	-1.260
H16	-0.218	-1.727	-1.288

	C1	N2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4705	1.5348	1.5284	1.5284	2.0448	2.0448	2.1897	2.1772	2.1772	2.1734	2.1734	2.1632	2.1746	2.1632	2.1746
N2	1.4705		2.4994	2.4152	2.4152	1.0201	1.0201	3.4509	2.7684	2.7684	2.6909	2.6909	2.6315	3.3818	2.6315	3.3818
C3	1.5348	2.4994		2.5075	2.5075	2.6812	2.6812	1.0958	1.0964	1.0964	2.7554	2.7554	3.4623	2.7580	3.4623	2.7580
C4	1.5284	2.4152	2.5075		2.5029	3.3117	2.6259	2.7759	3.4675	2.7533	1.0967	3.4647	1.0935	1.0947	2.7391	2.7655
C5	1.5284	2.4152	2.5075	2.5029		2.6259	3.3117	2.7759	2.7533	3.4675	3.4647	1.0967	2.7391	2.7655	1.0935	1.0947
H6	2.0448	1.0201	2.6812	3.3117	2.6259		1.6270	3.6874	2.5238	3.0426	3.6180	2.4634	3.5823	4.1754	2.9552	3.6388
H7	2.0448	1.0201	2.6812	2.6259	3.3117	1.6270		3.6874	3.0426	2.5238	2.4634	3.6180	2.9552	3.6388	3.5823	4.1754
H8	2.1897	3.4509	1.0958	2.7759	2.7759	3.6874	3.6874		1.7730	1.7730	3.1239	3.1239	3.7819	2.5748	3.7819	2.5748
H9	2.1772	2.7684	1.0964	3.4675	2.7533	2.5238	3.0426	1.7730		1.7749	3.7605	2.5460	4.3096	3.7694	3.7551	3.1039
H10	2.1772	2.7684	1.0964	2.7533	3.4675	3.0426	2.5238	1.7730	1.7749		2.5460	3.7605	3.7551	3.1039	4.3096	3.7694
H11	2.1734	2.6909	2.7554	1.0967	3.4647	3.6180	2.4634	3.1239	3.7605	2.5460		4.3154	1.7740	1.7715	3.7445	3.7761
H12	2.1734	2.6909	2.7554	3.4647	1.0967	2.4634	3.6180	3.1239	2.5460	3.7605	4.3154		3.7445	3.7761	1.7740	1.7715
H13	2.1632	2.6315	3.4623	1.0935	2.7391	3.5823	2.9552	3.7819	4.3096	3.7551	1.7740	3.7445		1.7816	2.5198	3.1092
H14	2.1746	3.3818	2.7580	1.0947	2.7655	4.1754	3.6388	2.5748	3.7694	3.1039	1.7715	3.7761	1.7816		3.1092	2.5769
H15	2.1632	2.6315	3.4623	2.7391	1.0935	2.9552	3.5823	3.7819	3.7551	4.3096	3.7445	1.7740	2.5198	3.1092		1.7816
H16	2.1746	3.3818	2.7580	2.7655	1.0947	3.6388	4.1754	2.5748	3.1039	3.7694	3.7761	1.7715	3.1092	2.5769	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.028	C1	N2	H7	109.028
C1	C3	H8	111.598	C1	C3	H9	110.568
C1	C3	H10	110.568	C1	C4	H11	110.697
C1	C4	H13	110.081	C1	C4	H14	110.910
C1	C5	H12	110.697	C1	C5	H15	110.081
N2	C1	C3	112.522	N2	C1	C4	107.272
N2	C1	C5	107.272	C3	C1	C4	109.886
C3	C1	C5	109.886	C4	C1	C5	109.928
H6	N2	H7	105.786	H8	C3	H9	107.951
H8	C3	H10	107.951	H9	C3	H10	108.076
H11	C4	H13	108.190	H11	C4	H14	107.877
H12	C5	H15	108.190	H13	C4	H14	109.007

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

using model chemistry: M06-2X/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	0.118
2	N	-0.732
3	C	-0.461
4	C	-0.455
5	C	-0.455
6	H	0.303
7	H	0.303
8	H	0.153
9	H	0.146
10	H	0.146
11	H	0.144
12	H	0.144
13	H	0.172
14	H	0.151
15	H	0.172
16	H	0.151

	x	y	z	Total
	1.310	0.103	0.000	1.315
CHELPG
AIM
ESP

	x	y	z
x	7.148	0.046	0.000
y	0.046	7.554	0.000
z	0.000	0.000	7.634

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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