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	hartrees
Energy at 0K	-173.337072
Energy at 298.15K	-173.347839
Nuclear repulsion energy	136.103449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3718	3378	0.17
2	A'	3235	2939	96.55
3	A'	3215	2921	81.60
4	A'	3159	2870	5.14
5	A'	3081	2799	86.96
6	A'	1798	1634	39.78
7	A'	1626	1477	5.17
8	A'	1613	1465	4.14
9	A'	1542	1401	16.58
10	A'	1502	1365	18.63
11	A'	1300	1181	7.00
12	A'	1263	1147	25.06
13	A'	1067	970	4.55
14	A'	940	854	138.87
15	A'	868	789	0.63
16	A'	507	461	10.67
17	A'	390	354	0.13
18	A'	287	260	0.16
19	A"	3793	3446	0.04
20	A"	3226	2931	1.22
21	A"	3210	2916	29.54
22	A"	3153	2864	58.89
23	A"	1608	1460	0.02
24	A"	1603	1456	0.09
25	A"	1550	1409	17.20
26	A"	1503	1365	0.10
27	A"	1364	1239	0.08
28	A"	1111	1009	1.45
29	A"	1032	938	0.07
30	A"	1003	911	0.01
31	A"	431	391	6.23
32	A"	308	280	39.62
33	A"	233	212	7.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.289	0.216	0.000
N2	-0.902	1.059	0.000
H3	1.206	0.813	0.000
C4	0.289	-0.642	1.261
C5	0.289	-0.642	-1.261
H6	-0.915	1.655	-0.804
H7	-0.915	1.655	0.804
H8	-0.599	-1.265	1.293
H9	-0.599	-1.265	-1.293
H10	1.166	-1.281	1.296
H11	1.166	-1.281	-1.296
H12	0.296	-0.021	2.154
H13	0.296	-0.021	-2.154

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4595	1.0938	1.5251	1.5251	2.0414	2.0414	2.1574	2.1574	2.1660	2.1660	2.1669	2.1669
N2	1.4595		2.1220	2.4296	2.4296	1.0007	1.0007	2.6770	2.6770	3.3819	3.3819	2.6910	2.6910
H3	1.0938	2.1220		2.1322	2.1322	2.4196	2.4196	3.0409	3.0409	2.4633	2.4633	2.4823	2.4823
C4	1.5251	2.4296	2.1322		2.5222	3.3151	2.6328	1.0857	2.7750	1.0862	2.7781	1.0874	3.4710
C5	1.5251	2.4296	2.1322	2.5222		2.6328	3.3151	2.7750	1.0857	2.7781	1.0862	3.4710	1.0874
H6	2.0414	1.0007	2.4196	3.3151	2.6328		1.6089	3.6087	2.9770	4.1672	3.6325	3.6092	2.4689
H7	2.0414	1.0007	2.4196	2.6328	3.3151	1.6089		2.9770	3.6087	3.6325	4.1672	2.4689	3.6092
H8	2.1574	2.6770	3.0409	1.0857	2.7750	3.6087	2.9770		2.5859	1.7655	3.1337	1.7581	3.7723
H9	2.1574	2.6770	3.0409	2.7750	1.0857	2.9770	3.6087	2.5859		3.1337	1.7655	3.7723	1.7581
H10	2.1660	3.3819	2.4633	1.0862	2.7781	4.1672	3.6325	1.7655	3.1337		2.5921	1.7556	3.7747
H11	2.1660	3.3819	2.4633	2.7781	1.0862	3.6325	4.1672	3.1337	1.7655	2.5921		3.7747	1.7556
H12	2.1669	2.6910	2.4823	1.0874	3.4710	3.6092	2.4689	1.7581	3.7723	1.7556	3.7747		4.3078
H13	2.1669	2.6910	2.4823	3.4710	1.0874	2.4689	3.6092	3.7723	1.7581	3.7747	1.7556	4.3078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.767	C1	N2	H7	110.767
C1	C4	H8	110.312	C1	C4	H10	110.970
C1	C4	H12	110.971	C1	C5	H9	110.312
C1	C5	H11	110.970	C1	C5	H13	110.971
N2	C1	H3	111.621	N2	C1	C4	108.964
N2	C1	C5	108.964	H3	C1	C4	107.873
H3	C1	C5	107.873	C4	C1	C5	111.564
H6	N2	H7	107.000	H8	C4	H10	108.754
H8	C4	H12	107.993	H9	C5	H11	108.754
H9	C5	H13	107.993	H10	C4	H12	107.738
H11	C5	H13	107.738

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

using model chemistry: HF/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	-0.048
2	N	-0.484
3	H	0.071
4	C	-0.214
5	C	-0.214
6	H	0.182
7	H	0.182
8	H	0.097
9	H	0.097
10	H	0.085
11	H	0.085
12	H	0.080
13	H	0.080

	x	y	z	Total
	1.014	0.894	0.000	1.352
CHELPG
AIM
ESP

	x	y	z
x	5.775	-0.386	0.000
y	-0.386	6.110	0.000
z	0.000	0.000	6.556

<r²>	92.994
(<r²>)^1/2	9.643

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

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

States and conformations

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