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	hartrees
Energy at 0K	-212.637452
Energy at 298.15K	-212.649946
HF Energy	-212.637452
Nuclear repulsion energy	200.828072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3366	3302	3.29
2	A'	3086	3027	28.96
3	A'	3060	3002	44.78
4	A'	3048	2991	10.89
5	A'	2981	2924	1.62
6	A'	2964	2907	20.93
7	A'	1618	1587	34.22
8	A'	1473	1445	9.87
9	A'	1451	1423	3.05
10	A'	1432	1405	0.27
11	A'	1373	1347	11.29
12	A'	1347	1322	29.76
13	A'	1271	1247	12.39
14	A'	1232	1208	32.48
15	A'	1020	1000	8.72
16	A'	953	935	0.05
17	A'	909	892	28.03
18	A'	862	845	131.93
19	A'	767	752	0.47
20	A'	432	424	10.23
21	A'	393	385	0.18
22	A'	324	318	1.06
23	A'	253	248	0.01
24	A"	3460	3395	0.84
25	A"	3083	3024	0.17
26	A"	3057	2999	19.97
27	A"	3050	2992	16.01
28	A"	2976	2920	33.89
29	A"	1466	1438	6.33
30	A"	1438	1411	0.02
31	A"	1426	1398	0.03
32	A"	1367	1341	25.44
33	A"	1318	1293	1.94
34	A"	1099	1078	1.86
35	A"	984	965	0.23
36	A"	926	908	1.84
37	A"	917	900	0.33
38	A"	439	431	10.51
39	A"	337	331	10.73
40	A"	294	288	24.90
41	A"	279	274	3.74
42	A"	200	196	3.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.014	0.000
N2	-0.542	1.371	0.000
C3	1.509	-0.023	0.000
C4	-0.542	-0.676	1.240
C5	-0.542	-0.676	-1.240
H6	-0.176	1.872	-0.821
H7	-0.176	1.872	0.821
H8	1.901	-1.057	0.000
H9	1.911	0.489	-0.895
H10	1.911	0.489	0.895
H11	-0.169	-0.178	2.155
H12	-0.169	-0.178	-2.155
H13	-1.644	-0.637	1.255
H14	-0.218	-1.731	1.277
H15	-1.644	-0.637	-1.255
H16	-0.218	-1.731	-1.277

	C1	N2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4565	1.5220	1.5149	1.5149	2.0380	2.0380	2.1923	2.1735	2.1735	2.1697	2.1697	2.1588	2.1720	2.1588	2.1720
N2	1.4565		2.4795	2.3933	2.3933	1.0292	1.0292	3.4437	2.7554	2.7554	2.6802	2.6802	2.6116	3.3697	2.6116	3.3697
C3	1.5220	2.4795		2.4845	2.4845	2.6654	2.6654	1.1059	1.1061	1.1061	2.7362	2.7362	3.4490	2.7447	3.4490	2.7447
C4	1.5149	2.3933	2.4845		2.4809	3.2979	2.6079	2.7658	3.4541	2.7371	1.1065	3.4524	1.1031	1.1038	2.7279	2.7489
C5	1.5149	2.3933	2.4845	2.4809		2.6079	3.2979	2.7658	2.7371	3.4541	3.4524	1.1065	2.7279	2.7489	1.1031	1.1038
H6	2.0380	1.0292	2.6654	3.2979	2.6079		1.6427	3.6832	2.5045	3.0351	3.6144	2.4459	3.5720	4.1695	2.9390	3.6316
H7	2.0380	1.0292	2.6654	2.6079	3.2979	1.6427		3.6832	3.0351	2.5045	2.4459	3.6144	2.9390	3.6316	3.5720	4.1695
H8	2.1923	3.4437	1.1059	2.7658	2.7658	3.6832	3.6832		1.7862	1.7862	3.1148	3.1148	3.7836	2.5643	3.7836	2.5643
H9	2.1735	2.7554	1.1061	3.4541	2.7371	2.5045	3.0351	1.7862		1.7893	3.7514	2.5218	4.3040	3.7653	3.7463	3.0994
H10	2.1735	2.7554	1.1061	2.7371	3.4541	3.0351	2.5045	1.7862	1.7893		2.5218	3.7514	3.7463	3.0994	4.3040	3.7653
H11	2.1697	2.6802	2.7362	1.1065	3.4524	3.6144	2.4459	3.1148	3.7514	2.5218		4.3109	1.7884	1.7844	3.7437	3.7679
H12	2.1697	2.6802	2.7362	3.4524	1.1065	2.4459	3.6144	3.1148	2.5218	3.7514	4.3109		3.7437	3.7679	1.7884	1.7844
H13	2.1588	2.6116	3.4490	1.1031	2.7279	3.5720	2.9390	3.7836	4.3040	3.7463	1.7884	3.7437		1.7971	2.5091	3.1047
H14	2.1720	3.3697	2.7447	1.1038	2.7489	4.1695	3.6316	2.5643	3.7653	3.0994	1.7844	3.7679	1.7971		3.1047	2.5547
H15	2.1588	2.6116	3.4490	2.7279	1.1031	2.9390	3.5720	3.7836	3.7463	4.3040	3.7437	1.7884	2.5091	3.1047		1.7971
H16	2.1720	3.3697	2.7447	2.7489	1.1038	3.6316	4.1695	2.5643	3.0994	3.7653	3.7679	1.7844	3.1047	2.5547	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.935	C1	N2	H7	108.935
C1	C3	H8	112.102	C1	C3	H9	110.595
C1	C3	H10	110.595	C1	C4	H11	110.756
C1	C4	H13	110.101	C1	C4	H14	111.105
C1	C5	H12	110.756	C1	C5	H15	110.101
N2	C1	C3	112.689	N2	C1	C4	107.290
N2	C1	C5	107.290	C3	C1	C4	109.786
C3	C1	C5	109.786	C4	C1	C5	109.930
H6	N2	H7	105.878	H8	C3	H9	107.710
H8	C3	H10	107.710	H9	C3	H10	107.970
H11	C4	H13	108.077	H11	C4	H14	107.674
H12	C5	H15	108.077	H13	C4	H14	109.037

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

using model chemistry: SVWN/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	0.149
2	N	-0.695
3	C	-0.520
4	C	-0.513
5	C	-0.513
6	H	0.300
7	H	0.300
8	H	0.165
9	H	0.158
10	H	0.158
11	H	0.157
12	H	0.157
13	H	0.184
14	H	0.165
15	H	0.184
16	H	0.165

	x	y	z
x	7.469	0.048	0.000
y	0.048	7.858	0.000
z	0.000	0.000	7.949

<r²>	128.124
(<r²>)^1/2	11.319

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

using model chemistry: SVWN/6-31G*

States and conformations

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