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	hartrees
Energy at 0K	-212.321826
Energy at 298.15K	-212.334956
HF Energy	-212.321826
Nuclear repulsion energy	200.378150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3710	3334	0.56
2	A	3288	2954	72.59
3	A	3263	2931	117.50
4	A	3251	2921	1.22
5	A	3204	2879	4.50
6	A	3188	2864	30.82
7	A	1838	1652	37.27
8	A	1662	1494	4.92
9	A	1646	1479	1.07
10	A	1630	1464	0.09
11	A	1580	1420	4.02
12	A	1554	1396	8.74
13	A	1404	1262	19.46
14	A	1369	1230	42.24
15	A	1161	1043	15.85
16	A	1038	933	2.53
17	A	997	895	22.48
18	A	984	884	145.38
19	A	793	712	1.04
20	A	483	434	8.88
21	A	451	406	0.09
22	A	362	325	1.30
23	A	300	270	0.01
24	A	3793	3408	0.12
25	A	3280	2947	1.98
26	A	3255	2924	52.61
27	A	3247	2917	22.13
28	A	3196	2871	57.17
29	A	1652	1484	3.16
30	A	1633	1467	0.02
31	A	1625	1460	0.00
32	A	1559	1401	8.77
33	A	1478	1328	2.79
34	A	1236	1111	1.49
35	A	1106	993	1.27
36	A	1048	942	0.00
37	A	1009	907	0.00
38	A	483	434	6.53
39	A	368	331	6.62
40	A	321	289	35.05
41	A	304	273	7.71
42	A	233	209	5.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.014	0.000
N2	-0.544	1.378	0.000
C3	1.525	-0.011	0.000
C4	-0.544	-0.686	1.253
C5	-0.544	-0.686	-1.253
H6	-0.220	1.882	-0.805
H7	-0.220	1.882	0.805
H8	1.910	-1.027	0.000
H9	1.920	0.493	-0.878
H10	1.920	0.493	0.878
H11	-0.193	-0.188	2.154
H12	-0.193	-0.188	-2.154
H13	-1.627	-0.669	1.263
H14	-0.211	-1.718	1.296
H15	-1.627	-0.669	-1.263
H16	-0.211	-1.718	-1.296

	C1	N2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4639	1.5371	1.5308	1.5308	2.0443	2.0443	2.1853	2.1753	2.1753	2.1711	2.1711	2.1617	2.1725	2.1617	2.1725
N2	1.4639		2.4919	2.4142	2.4142	1.0032	1.0032	3.4355	2.7609	2.7609	2.6861	2.6861	2.6381	3.3727	2.6381	3.3727
C3	1.5371	2.4919		2.5113	2.5113	2.6972	2.6972	1.0863	1.0870	1.0870	2.7610	2.7610	3.4596	2.7584	3.4596	2.7584
C4	1.5308	2.4142	2.5113		2.5065	3.3062	2.6263	2.7762	3.4646	2.7568	1.0872	3.4612	1.0840	1.0856	2.7397	2.7704
C5	1.5308	2.4142	2.5113	2.5065		2.6263	3.3062	2.7762	2.7568	3.4646	3.4612	1.0872	2.7397	2.7704	1.0840	1.0856
H6	2.0443	1.0032	2.6972	3.3062	2.6263		1.6093	3.6936	2.5515	3.0557	3.6109	2.4710	3.5727	4.1679	2.9494	3.6332
H7	2.0443	1.0032	2.6972	2.6263	3.3062	1.6093		3.6936	3.0557	2.5515	2.4710	3.6109	2.9494	3.6332	3.5727	4.1679
H8	2.1853	3.4355	1.0863	2.7762	2.7762	3.6936	3.6936		1.7560	1.7560	3.1248	3.1248	3.7731	2.5799	3.7731	2.5799
H9	2.1753	2.7609	1.0870	3.4646	2.7568	2.5515	3.0557	1.7560		1.7567	3.7581	2.5603	4.3036	3.7630	3.7528	3.0995
H10	2.1753	2.7609	1.0870	2.7568	3.4646	3.0557	2.5515	1.7560	1.7567		2.5603	3.7581	3.7528	3.0995	4.3036	3.7630
H11	2.1711	2.6861	2.7610	1.0872	3.4612	3.6109	2.4710	3.1248	3.7581	2.5603		4.3081	1.7561	1.7543	3.7370	3.7741
H12	2.1711	2.6861	2.7610	3.4612	1.0872	2.4710	3.6109	3.1248	2.5603	3.7581	4.3081		3.7370	3.7741	1.7561	1.7543
H13	2.1617	2.6381	3.4596	1.0840	2.7397	3.5727	2.9494	3.7731	4.3036	3.7528	1.7561	3.7370		1.7629	2.5258	3.1071
H14	2.1725	3.3727	2.7584	1.0856	2.7704	4.1679	3.6332	2.5799	3.7630	3.0995	1.7543	3.7741	1.7629		3.1071	2.5919
H15	2.1617	2.6381	3.4596	2.7397	1.0840	2.9494	3.5727	3.7731	3.7528	4.3036	3.7370	1.7561	2.5258	3.1071		1.7629
H16	2.1725	3.3727	2.7584	2.7704	1.0856	3.6332	4.1679	2.5799	3.0995	3.7630	3.7741	1.7543	3.1071	2.5919	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.524	C1	N2	H7	110.524
C1	C3	H8	111.666	C1	C3	H9	110.813
C1	C3	H10	110.813	C1	C4	H11	110.912
C1	C4	H13	110.362	C1	C4	H14	111.123
C1	C5	H12	110.912	C1	C5	H15	110.362
N2	C1	C3	112.249	N2	C1	C4	107.424
N2	C1	C5	107.424	C3	C1	C4	109.885
C3	C1	C5	109.885	C4	C1	C5	109.907
H6	N2	H7	106.663	H8	C3	H9	107.794
H8	C3	H10	107.794	H9	C3	H10	107.804
H11	C4	H13	107.964	H11	C4	H14	107.681
H12	C5	H15	107.964	H13	C4	H14	108.688

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

using model chemistry: HF/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	0.129
2	N	-0.824
3	C	-0.466
4	C	-0.460
5	C	-0.460
6	H	0.329
7	H	0.329
8	H	0.157
9	H	0.151
10	H	0.151
11	H	0.149
12	H	0.149
13	H	0.178
14	H	0.155
15	H	0.178
16	H	0.155

	x	y	z	Total
	1.324	0.116	0.000	1.329
CHELPG	0.001	1.223	-0.488	1.317
AIM	0.230	-0.261	0.475	0.589
ESP	0.005	1.220	-0.515	1.324

	x	y	z
x	6.780	0.029	0.000
y	0.029	7.183	0.000
z	0.000	0.000	7.260

<r²>	129.519
(<r²>)^1/2	11.381

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

using model chemistry: HF/6-31G*

States and conformations

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