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	hartrees
Energy at 0K	-213.839504
Energy at 298.15K	-213.852055
HF Energy	-213.839504
Nuclear repulsion energy	199.070056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3456	3327	4.68
2	A'	3127	3010	58.37
3	A'	3103	2987	88.72
4	A'	3092	2976	12.92
5	A'	3035	2922	4.75
6	A'	3018	2905	39.55
7	A'	1668	1605	34.62
8	A'	1532	1474	8.88
9	A'	1515	1458	3.40
10	A'	1499	1442	0.08
11	A'	1433	1380	4.28
12	A'	1402	1350	10.81
13	A'	1270	1222	18.14
14	A'	1238	1192	31.26
15	A'	1053	1013	7.92
16	A'	945	910	2.31
17	A'	908	874	1.00
18	A'	871	839	143.77
19	A'	739	711	1.24
20	A'	433	417	9.01
21	A'	399	384	0.35
22	A'	323	311	1.19
23	A'	255	245	0.00
24	A"	3547	3414	0.66
25	A"	3123	3006	0.79
26	A"	3100	2984	35.72
27	A"	3093	2977	23.55
28	A"	3029	2916	62.44
29	A"	1522	1465	6.38
30	A"	1504	1447	0.00
31	A"	1494	1438	0.00
32	A"	1409	1356	10.85
33	A"	1348	1297	2.20
34	A"	1124	1082	1.47
35	A"	1006	968	1.31
36	A"	952	916	0.01
37	A"	929	894	0.05
38	A"	435	419	9.42
39	A"	332	319	7.50
40	A"	288	277	28.80
41	A"	269	258	3.57
42	A"	203	196	3.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	0.013	0.000
N2	-0.547	1.389	0.000
C3	1.534	-0.021	0.000
C4	-0.547	-0.687	1.259
C5	-0.547	-0.687	-1.259
H6	-0.224	1.902	-0.820
H7	-0.224	1.902	0.820
H8	1.917	-1.049	0.000
H9	1.931	0.487	-0.887
H10	1.931	0.487	0.887
H11	-0.191	-0.183	2.166
H12	-0.191	-0.183	-2.166
H13	-1.641	-0.669	1.265
H14	-0.210	-1.728	1.301
H15	-1.641	-0.669	-1.265
H16	-0.210	-1.728	-1.301

	C1	N2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4771	1.5452	1.5372	1.5372	2.0698	2.0698	2.2008	2.1870	2.1870	2.1829	2.1829	2.1736	2.1827	2.1736	2.1827
N2	1.4771		2.5141	2.4283	2.4283	1.0195	1.0195	3.4666	2.7827	2.7827	2.7006	2.7006	2.6521	3.3949	2.6521	3.3949
C3	1.5452	2.5141		2.5220	2.5220	2.7311	2.7311	1.0970	1.0969	1.0969	2.7746	2.7746	3.4790	2.7659	3.4790	2.7659
C4	1.5372	2.4283	2.5220		2.5179	3.3358	2.6455	2.7906	3.4825	2.7676	1.0972	3.4805	1.0943	1.0953	2.7512	2.7837
C5	1.5372	2.4283	2.5220	2.5179		2.6455	3.3358	2.7906	2.7676	3.4825	3.4805	1.0972	2.7512	2.7837	1.0943	1.0953
H6	2.0698	1.0195	2.7311	3.3358	2.6455		1.6400	3.7364	2.5785	3.0918	3.6423	2.4820	3.6005	4.2040	2.9688	3.6617
H7	2.0698	1.0195	2.7311	2.6455	3.3358	1.6400		3.7364	3.0918	2.5785	2.4820	3.6423	2.9688	3.6617	3.6005	4.2040
H8	2.2008	3.4666	1.0970	2.7906	2.7906	3.7364	3.7364		1.7741	1.7741	3.1447	3.1447	3.7955	2.5841	3.7955	2.5841
H9	2.1870	2.7827	1.0969	3.4825	2.7676	2.5785	3.0918	1.7741		1.7745	3.7790	2.5675	4.3280	3.7791	3.7738	3.1090
H10	2.1870	2.7827	1.0969	2.7676	3.4825	3.0918	2.5785	1.7741	1.7745		2.5675	3.7790	3.7738	3.1090	4.3280	3.7791
H11	2.1829	2.7006	2.7746	1.0972	3.4805	3.6423	2.4820	3.1447	3.7790	2.5675		4.3330	1.7747	1.7714	3.7568	3.7959
H12	2.1829	2.7006	2.7746	3.4805	1.0972	2.4820	3.6423	3.1447	2.5675	3.7790	4.3330		3.7568	3.7959	1.7747	1.7714
H13	2.1736	2.6521	3.4790	1.0943	2.7512	3.6005	2.9688	3.7955	4.3280	3.7738	1.7747	3.7568		1.7810	2.5305	3.1232
H14	2.1827	3.3949	2.7659	1.0953	2.7837	4.2040	3.6617	2.5841	3.7791	3.1090	1.7714	3.7959	1.7810		3.1232	2.6011
H15	2.1736	2.6521	3.4790	2.7512	1.0943	2.9688	3.6005	3.7955	3.7738	4.3280	3.7568	1.7747	2.5305	3.1232		1.7810
H16	2.1827	3.3949	2.7659	2.7837	1.0953	3.6617	4.2040	2.5841	3.1090	3.7791	3.7959	1.7714	3.1232	2.6011	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.666	C1	N2	H7	110.666
C1	C3	H8	111.680	C1	C3	H9	110.590
C1	C3	H10	110.590	C1	C4	H11	110.801
C1	C4	H13	110.241	C1	C4	H14	110.906
C1	C5	H12	110.801	C1	C5	H15	110.241
N2	C1	C3	112.558	N2	C1	C4	107.316
N2	C1	C5	107.316	C3	C1	C4	109.808
C3	C1	C5	109.808	C4	C1	C5	109.966
H6	N2	H7	107.092	H8	C3	H9	107.933
H8	C3	H10	107.933	H9	C3	H10	107.978
H11	C4	H13	108.151	H11	C4	H14	107.790
H12	C5	H15	108.151	H13	C4	H14	108.863

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

using model chemistry: TPSSh/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	0.217
2	N	-0.549
3	C	-0.538
4	C	-0.535
5	C	-0.535
6	H	0.284
7	H	0.284
8	H	0.149
9	H	0.149
10	H	0.149
11	H	0.144
12	H	0.144
13	H	0.170
14	H	0.149
15	H	0.170
16	H	0.149

	x	y	z	Total
	1.307	-0.022	0.000	1.307
CHELPG
AIM
ESP

	x	y	z
x	8.919	0.009	0.000
y	0.009	8.708	0.000
z	0.000	0.000	8.825

<r²>	131.002
(<r²>)^1/2	11.446

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

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

States and conformations

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