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	hartrees
Energy at 0K	-213.581446
Energy at 298.15K	-213.594124
HF Energy	-213.581446
Nuclear repulsion energy	199.970905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3526	3367	1.72
2	A'	3156	3013	44.69
3	A'	3133	2991	71.75
4	A'	3124	2983	6.37
5	A'	3056	2918	3.93
6	A'	3040	2903	32.39
7	A'	1664	1589	41.23
8	A'	1517	1448	11.17
9	A'	1498	1430	4.35
10	A'	1480	1413	0.09
11	A'	1423	1359	8.28
12	A'	1394	1331	21.18
13	A'	1285	1227	21.02
14	A'	1252	1195	32.31
15	A'	1051	1004	5.67
16	A'	965	922	2.51
17	A'	921	880	0.99
18	A'	855	817	153.40
19	A'	761	727	0.87
20	A'	450	430	9.90
21	A'	418	399	0.19
22	A'	337	322	1.33
23	A'	266	254	0.00
24	A"	3623	3459	0.09
25	A"	3152	3009	0.53
26	A"	3130	2988	34.85
27	A"	3124	2983	14.09
28	A"	3050	2912	50.13
29	A"	1508	1439	7.29
30	A"	1485	1418	0.00
31	A"	1474	1408	0.01
32	A"	1404	1340	21.53
33	A"	1352	1291	0.63
34	A"	1125	1074	1.41
35	A"	1010	965	0.89
36	A"	953	910	0.06
37	A"	941	899	0.40
38	A"	453	432	7.37
39	A"	345	330	5.53
40	A"	290	277	21.36
41	A"	277	265	13.77
42	A"	207	198	4.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	0.014	0.000
N2	-0.544	1.380	0.000
C3	1.524	-0.019	0.000
C4	-0.544	-0.683	1.252
C5	-0.544	-0.683	-1.252
H6	-0.219	1.889	-0.817
H7	-0.219	1.889	0.817
H8	1.907	-1.046	0.000
H9	1.922	0.489	-0.887
H10	1.922	0.489	0.887
H11	-0.188	-0.180	2.160
H12	-0.188	-0.180	-2.160
H13	-1.637	-0.665	1.260
H14	-0.207	-1.724	1.295
H15	-1.637	-0.665	-1.260
H16	-0.207	-1.724	-1.295

	C1	N2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4662	1.5360	1.5286	1.5286	2.0559	2.0559	2.1918	2.1796	2.1796	2.1757	2.1757	2.1665	2.1756	2.1665	2.1756
N2	1.4662		2.4964	2.4132	2.4132	1.0159	1.0159	3.4484	2.7675	2.7675	2.6880	2.6880	2.6396	3.3798	2.6396	3.3798
C3	1.5360	2.4964		2.5072	2.5072	2.7099	2.7099	1.0964	1.0965	1.0965	2.7612	2.7612	3.4646	2.7534	3.4646	2.7534
C4	1.5286	2.4132	2.5072		2.5043	3.3169	2.6287	2.7761	3.4683	2.7547	1.0968	3.4671	1.0940	1.0948	2.7403	2.7717
C5	1.5286	2.4132	2.5072	2.5043		2.6287	3.3169	2.7761	2.7547	3.4683	3.4671	1.0968	2.7403	2.7717	1.0940	1.0948
H6	2.0559	1.0159	2.7099	3.3169	2.6287		1.6339	3.7148	2.5587	3.0732	3.6254	2.4669	3.5849	4.1846	2.9552	3.6443
H7	2.0559	1.0159	2.7099	2.6287	3.3169	1.6339		3.7148	3.0732	2.5587	2.4669	3.6254	2.9552	3.6443	3.5849	4.1846
H8	2.1918	3.4484	1.0964	2.7761	2.7761	3.7148	3.7148		1.7728	1.7728	3.1314	3.1314	3.7814	2.5701	3.7814	2.5701
H9	2.1796	2.7675	1.0965	3.4683	2.7547	2.5587	3.0732	1.7728		1.7732	3.7661	2.5541	4.3143	3.7668	3.7608	3.0980
H10	2.1796	2.7675	1.0965	2.7547	3.4683	3.0732	2.5587	1.7728	1.7732		2.5541	3.7661	3.7608	3.0980	4.3143	3.7668
H11	2.1757	2.6880	2.7612	1.0968	3.4671	3.6254	2.4669	3.1314	3.7661	2.5541		4.3197	1.7733	1.7698	3.7460	3.7836
H12	2.1757	2.6880	2.7612	3.4671	1.0968	2.4669	3.6254	3.1314	2.5541	3.7661	4.3197		3.7460	3.7836	1.7733	1.7698
H13	2.1665	2.6396	3.4646	1.0940	2.7403	3.5849	2.9552	3.7814	4.3143	3.7608	1.7733	3.7460		1.7800	2.5206	3.1136
H14	2.1756	3.3798	2.7534	1.0948	2.7717	4.1846	3.6443	2.5701	3.7668	3.0980	1.7698	3.7836	1.7800		3.1136	2.5891
H15	2.1665	2.6396	3.4646	2.7403	1.0940	2.9552	3.5849	3.7814	3.7608	4.3143	3.7460	1.7733	2.5206	3.1136		1.7800
H16	2.1756	3.3798	2.7534	2.7717	1.0948	3.6443	4.1846	2.5701	3.0980	3.7668	3.7836	1.7698	3.1136	2.5891	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.534	C1	N2	H7	110.534
C1	C3	H8	111.650	C1	C3	H9	110.676
C1	C3	H10	110.676	C1	C4	H11	110.863
C1	C4	H13	110.297	C1	C4	H14	110.972
C1	C5	H12	110.863	C1	C5	H15	110.297
N2	C1	C3	112.487	N2	C1	C4	107.354
N2	C1	C5	107.354	C3	C1	C4	109.792
C3	C1	C5	109.792	C4	C1	C5	109.997
H6	N2	H7	107.057	H8	C3	H9	107.889
H8	C3	H10	107.889	H9	C3	H10	107.920
H11	C4	H13	108.081	H11	C4	H14	107.704
H12	C5	H15	108.081	H13	C4	H14	108.827

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

using model chemistry: HSEh1PBE/6-31+G**

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	0.127
2	N	-0.568
3	C	-0.534
4	C	-0.540
5	C	-0.540
6	H	0.289
7	H	0.289
8	H	0.162
9	H	0.160
10	H	0.160
11	H	0.155
12	H	0.155
13	H	0.181
14	H	0.162
15	H	0.181
16	H	0.162

	x	y	z	Total
	1.288	0.015	0.000	1.288
CHELPG
AIM
ESP

	x	y	z
x	8.784	0.021	0.000
y	0.021	8.571	0.000
z	0.000	0.000	8.703

<r²>	129.936
(<r²>)^1/2	11.399

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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