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	hartrees
Energy at 0K	-174.292543
Energy at 298.15K	-174.302889
Nuclear repulsion energy	134.959667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3358	4.41
2	A'	3051	3023	56.05
3	A'	3033	3005	48.33
4	A'	2965	2938	5.67
5	A'	2842	2816	84.71
6	A'	1607	1593	32.22
7	A'	1460	1447	8.01
8	A'	1444	1431	6.25
9	A'	1362	1350	16.54
10	A'	1323	1311	17.05
11	A'	1164	1154	5.91
12	A'	1119	1109	15.92
13	A'	973	964	5.28
14	A'	837	830	105.75
15	A'	802	794	15.26
16	A'	460	456	10.77
17	A'	352	348	0.09
18	A'	254	251	0.15
19	A"	3469	3437	1.11
20	A"	3046	3018	0.09
21	A"	3030	3003	21.23
22	A"	2961	2934	44.29
23	A"	1439	1426	0.01
24	A"	1435	1422	0.58
25	A"	1364	1352	18.35
26	A"	1335	1323	1.43
27	A"	1234	1222	0.14
28	A"	1014	1005	1.46
29	A"	933	925	0.27
30	A"	900	892	0.26
31	A"	395	391	7.92
32	A"	284	281	35.29
33	A"	210	208	4.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.220	0.000
N2	-0.922	1.054	0.000
H3	1.230	0.825	0.000
C4	0.294	-0.642	1.265
C5	0.294	-0.642	-1.265
H6	-0.909	1.672	-0.817
H7	-0.909	1.672	0.817
H8	-0.613	-1.265	1.296
H9	-0.613	-1.265	-1.296
H10	1.178	-1.298	1.298
H11	1.178	-1.298	-1.298
H12	0.307	-0.016	2.173
H13	0.307	-0.016	-2.173

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4751	1.1139	1.5308	1.5308	2.0559	2.0559	2.1697	2.1697	2.1838	2.1838	2.1856	2.1856
N2	1.4751		2.1637	2.4408	2.4408	1.0247	1.0247	2.6745	2.6745	3.4099	3.4099	2.7162	2.7162
H3	1.1139	2.1637		2.1511	2.1511	2.4414	2.4414	3.0730	3.0730	2.4890	2.4890	2.5058	2.5058
C4	1.5308	2.4408	2.1511		2.5305	3.3379	2.6468	1.1014	2.7877	1.1008	2.7895	1.1025	3.4945
C5	1.5308	2.4408	2.1511	2.5305		2.6468	3.3379	2.7877	1.1014	2.7895	1.1008	3.4945	1.1025
H6	2.0559	1.0247	2.4414	3.3379	2.6468		1.6345	3.6304	2.9907	4.2016	3.6620	3.6429	2.4835
H7	2.0559	1.0247	2.4414	2.6468	3.3379	1.6345		2.9907	3.6304	3.6620	4.2016	2.4835	3.6429
H8	2.1697	2.6745	3.0730	1.1014	2.7877	3.6304	2.9907		2.5916	1.7914	3.1523	1.7822	3.7998
H9	2.1697	2.6745	3.0730	2.7877	1.1014	2.9907	3.6304	2.5916		3.1523	1.7914	3.7998	1.7822
H10	2.1838	3.4099	2.4890	1.1008	2.7895	4.2016	3.6620	1.7914	3.1523		2.5962	1.7794	3.8011
H11	2.1838	3.4099	2.4890	2.7895	1.1008	3.6620	4.2016	3.1523	1.7914	2.5962		3.8011	1.7794
H12	2.1856	2.7162	2.5058	1.1025	3.4945	3.6429	2.4835	1.7822	3.7998	1.7794	3.8011		4.3455
H13	2.1856	2.7162	2.5058	3.4945	1.1025	2.4835	3.6429	3.7998	1.7822	3.8011	1.7794	4.3455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.328	C1	N2	H7	109.328
C1	C4	H8	109.961	C1	C4	H10	111.111
C1	C4	H12	111.147	C1	C5	H9	109.961
C1	C5	H11	111.111	C1	C5	H13	111.147
N2	C1	H3	112.638	N2	C1	C4	108.567
N2	C1	C5	108.567	H3	C1	C4	107.812
H3	C1	C5	107.812	C4	C1	C5	111.483
H6	N2	H7	105.790	H8	C4	H10	108.866
H8	C4	H12	107.932	H9	C5	H11	108.866
H9	C5	H13	107.932	H10	C4	H12	107.725
H11	C5	H13	107.725

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)

using model chemistry: PBEPBE/6-311G**

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	-0.146
2	N	-0.426
3	H	0.110
4	C	-0.304
5	C	-0.304
6	H	0.186
7	H	0.186
8	H	0.124
9	H	0.124
10	H	0.115
11	H	0.115
12	H	0.111
13	H	0.111

	x	y	z	Total
	0.918	0.937	0.000	1.312
CHELPG
AIM
ESP

	x	y	z
x	6.438	-0.481	0.000
y	-0.481	6.906	0.000
z	0.000	0.000	7.382

<r²>	94.049
(<r²>)^1/2	9.698

All results from a given calculation for CH3CH(NH2)CH3 (2-Propanamine)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)