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	hartrees
Energy at 0K	-213.537205
Energy at 298.15K	-213.549898
HF Energy	-213.537205
Nuclear repulsion energy	200.014163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3487	3314	2.69
2	A'	3167	3009	43.44
3	A'	3142	2986	68.03
4	A'	3132	2976	6.24
5	A'	3067	2915	2.55
6	A'	3051	2899	25.56
7	A'	1699	1615	31.06
8	A'	1542	1466	7.85
9	A'	1523	1447	2.42
10	A'	1506	1431	0.14
11	A'	1445	1373	6.31
12	A'	1417	1347	15.50
13	A'	1306	1241	17.42
14	A'	1268	1205	38.18
15	A'	1068	1015	13.60
16	A'	975	927	2.31
17	A'	934	887	30.91
18	A'	914	869	114.30
19	A'	764	726	0.98
20	A'	447	425	9.10
21	A'	412	392	0.09
22	A'	335	318	1.13
23	A'	264	251	0.01
24	A"	3578	3400	1.00
25	A"	3162	3005	0.56
26	A"	3138	2982	28.41
27	A"	3130	2974	19.98
28	A"	3062	2909	42.26
29	A"	1533	1457	5.22
30	A"	1511	1436	0.02
31	A"	1501	1426	0.01
32	A"	1427	1356	16.71
33	A"	1375	1306	0.45
34	A"	1145	1088	2.44
35	A"	1023	972	0.98
36	A"	964	916	0.06
37	A"	949	902	0.66
38	A"	451	428	8.05
39	A"	344	327	10.54
40	A"	304	289	31.86
41	A"	281	267	1.67
42	A"	208	197	3.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.014	0.000
N2	-0.546	1.381	0.000
C3	1.523	-0.020	0.000
C4	-0.546	-0.682	1.251
C5	-0.546	-0.682	-1.251
H6	-0.185	1.879	-0.812
H7	-0.185	1.879	0.812
H8	1.909	-1.047	0.000
H9	1.922	0.488	-0.887
H10	1.922	0.488	0.887
H11	-0.181	-0.186	2.160
H12	-0.181	-0.186	-2.160
H13	-1.640	-0.651	1.263
H14	-0.221	-1.728	1.289
H15	-1.640	-0.651	-1.263
H16	-0.221	-1.728	-1.289

	C1	N2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4675	1.5349	1.5279	1.5279	2.0418	2.0418	2.1940	2.1799	2.1799	2.1757	2.1757	2.1653	2.1770	2.1653	2.1770
N2	1.4675		2.4983	2.4128	2.4128	1.0188	1.0188	3.4523	2.7706	2.7706	2.6934	2.6934	2.6311	3.3811	2.6311	3.3811
C3	1.5349	2.4983		2.5063	2.5063	2.6803	2.6803	1.0970	1.0974	1.0974	2.7562	2.7562	3.4634	2.7602	3.4634	2.7602
C4	1.5279	2.4128	2.5063		2.5016	3.3088	2.6239	2.7788	3.4685	2.7553	1.0976	3.4656	1.0945	1.0955	2.7420	2.7657
C5	1.5279	2.4128	2.5063	2.5016		2.6239	3.3088	2.7788	2.7553	3.4685	3.4656	1.0976	2.7420	2.7657	1.0945	1.0955
H6	2.0418	1.0188	2.6803	3.3088	2.6239		1.6242	3.6887	2.5266	3.0440	3.6194	2.4666	3.5815	4.1747	2.9535	3.6388
H7	2.0418	1.0188	2.6803	2.6239	3.3088	1.6242		3.6887	3.0440	2.5266	2.4666	3.6194	2.9535	3.6388	3.5815	4.1747
H8	2.1940	3.4523	1.0970	2.7788	2.7788	3.6887	3.6887		1.7724	1.7724	3.1263	3.1263	3.7873	2.5808	3.7873	2.5808
H9	2.1799	2.7706	1.0974	3.4685	2.7553	2.5266	3.0440	1.7724		1.7744	3.7635	2.5493	4.3138	3.7732	3.7584	3.1085
H10	2.1799	2.7706	1.0974	2.7553	3.4685	3.0440	2.5266	1.7724	1.7744		2.5493	3.7635	3.7584	3.1085	4.3138	3.7732
H11	2.1757	2.6934	2.7562	1.0976	3.4656	3.6194	2.4666	3.1263	3.7635	2.5493		4.3195	1.7737	1.7708	3.7497	3.7777
H12	2.1757	2.6934	2.7562	3.4656	1.0976	2.4666	3.6194	3.1263	2.5493	3.7635	4.3195		3.7497	3.7777	1.7737	1.7708
H13	2.1653	2.6311	3.4634	1.0945	2.7420	3.5815	2.9535	3.7873	4.3138	3.7584	1.7737	3.7497		1.7812	2.5267	3.1123
H14	2.1770	3.3811	2.7602	1.0955	2.7657	4.1747	3.6388	2.5808	3.7732	3.1085	1.7708	3.7777	1.7812		3.1123	2.5779
H15	2.1653	2.6311	3.4634	2.7420	1.0945	2.9535	3.5815	3.7873	3.7584	4.3138	3.7497	1.7737	2.5267	3.1123		1.7812
H16	2.1770	3.3811	2.7602	2.7657	1.0955	3.6388	4.1747	2.5808	3.1085	3.7732	3.7777	1.7708	3.1123	2.5779	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.081	C1	N2	H7	109.081
C1	C3	H8	111.872	C1	C3	H9	110.711
C1	C3	H10	110.711	C1	C4	H11	110.859
C1	C4	H13	110.225	C1	C4	H14	111.091
C1	C5	H12	110.859	C1	C5	H15	110.225
N2	C1	C3	112.607	N2	C1	C4	107.300
N2	C1	C5	107.300	C3	C1	C4	109.831
C3	C1	C5	109.831	C4	C1	C5	109.899
H6	N2	H7	105.709	H8	C3	H9	107.749
H8	C3	H10	107.749	H9	C3	H10	107.891
H11	C4	H13	108.023	H11	C4	H14	107.694
H12	C5	H15	108.023	H13	C4	H14	108.849

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

using model chemistry: PBE1PBE/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	0.115
2	N	-0.731
3	C	-0.506
4	C	-0.498
5	C	-0.498
6	H	0.308
7	H	0.308
8	H	0.166
9	H	0.160
10	H	0.160
11	H	0.158
12	H	0.158
13	H	0.185
14	H	0.165
15	H	0.185
16	H	0.165

	x	y	z	Total
	1.300	0.125	0.000	1.306
CHELPG
AIM
ESP

	x	y	z
x	7.182	0.040	0.000
y	0.040	7.554	0.000
z	0.000	0.000	7.642

<r²>	129.242
(<r²>)^1/2	11.368

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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