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	hartrees
Energy at 0K	-174.529334
Energy at 298.15K	-174.539811
Nuclear repulsion energy	135.362307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3355	5.62
2	A'	3105	3000	74.78
3	A'	3084	2980	64.76
4	A'	3028	2926	4.04
5	A'	2918	2819	90.02
6	A'	1713	1655	41.98
7	A'	1528	1477	8.70
8	A'	1513	1462	5.76
9	A'	1429	1381	14.54
10	A'	1384	1338	17.44
11	A'	1209	1168	5.63
12	A'	1165	1126	20.09
13	A'	998	964	6.29
14	A'	873	844	134.95
15	A'	819	792	2.05
16	A'	477	461	11.64
17	A'	365	353	0.16
18	A'	260	251	0.18
19	A"	3546	3427	2.37
20	A"	3098	2993	0.31
21	A"	3081	2977	23.92
22	A"	3023	2921	53.94
23	A"	1506	1456	0.18
24	A"	1504	1453	0.79
25	A"	1424	1376	18.57
26	A"	1401	1354	0.26
27	A"	1277	1234	0.02
28	A"	1040	1005	1.65
29	A"	967	934	0.12
30	A"	938	906	0.10
31	A"	405	391	7.06
32	A"	297	287	42.79
33	A"	216	208	5.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.365	0.000
N2	-1.394	-0.106	0.000
H3	0.066	1.468	0.000
C4	0.690	-0.147	1.264
C5	0.690	-0.147	-1.264
H6	-1.882	0.258	-0.814
H7	-1.882	0.258	0.814
H8	0.657	-1.239	1.298
H9	0.657	-1.239	-1.298
H10	1.735	0.174	1.302
H11	1.735	0.174	-1.302
H12	0.196	0.231	2.166
H13	0.196	0.231	-2.166

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4718	1.1047	1.5284	1.5284	2.0532	2.0532	2.1654	2.1654	2.1777	2.1777	2.1789	2.1789
N2	1.4718		2.1471	2.4382	2.4382	1.0163	1.0163	2.6789	2.6789	3.4009	3.4009	2.7084	2.7084
H3	1.1047	2.1471		2.1432	2.1432	2.4333	2.4333	3.0594	3.0594	2.4809	2.4809	2.4974	2.4974
C4	1.5284	2.4382	2.1432		2.5285	3.3313	2.6423	1.0934	2.7857	1.0935	2.7894	1.0952	3.4860
C5	1.5284	2.4382	2.1432	2.5285		2.6423	3.3313	2.7857	1.0934	2.7894	1.0935	3.4860	1.0952
H6	2.0532	1.0163	2.4333	3.3313	2.6423		1.6278	3.6260	2.9869	4.1913	3.6506	3.6331	2.4796
H7	2.0532	1.0163	2.4333	2.6423	3.3313	1.6278		2.9869	3.6260	3.6506	4.1913	2.4796	3.6331
H8	2.1654	2.6789	3.0594	1.0934	2.7857	3.6260	2.9869		2.5963	1.7769	3.1495	1.7682	3.7912
H9	2.1654	2.6789	3.0594	2.7857	1.0934	2.9869	3.6260	2.5963		3.1495	1.7769	3.7912	1.7682
H10	2.1777	3.4009	2.4809	1.0935	2.7894	4.1913	3.6506	1.7769	3.1495		2.6044	1.7653	3.7945
H11	2.1777	3.4009	2.4809	2.7894	1.0935	3.6506	4.1913	3.1495	1.7769	2.6044		3.7945	1.7653
H12	2.1789	2.7084	2.4974	1.0952	3.4860	3.6331	2.4796	1.7682	3.7912	1.7653	3.7945		4.3318
H13	2.1789	2.7084	2.4974	3.4860	1.0952	2.4796	3.6331	3.7912	1.7682	3.7945	1.7653	4.3318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.868	C1	N2	H7	109.868
C1	C4	H8	110.263	C1	C4	H10	111.230
C1	C4	H12	111.229	C1	C5	H9	110.263
C1	C5	H11	111.230	C1	C5	H13	111.229
N2	C1	H3	112.101	N2	C1	C4	108.700
N2	C1	C5	108.700	H3	C1	C4	107.878
H3	C1	C5	107.878	C4	C1	C5	111.616
H6	N2	H7	106.428	H8	C4	H10	108.684
H8	C4	H12	107.788	H9	C5	H11	108.684
H9	C5	H13	107.788	H10	C4	H12	107.523
H11	C5	H13	107.523

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

using model chemistry: B3LYP/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	ESP
1	C	-0.071	0.634
2	N	-0.736	-0.988
3	H	0.173	-0.089
4	C	-0.598	-0.468
5	C	-0.598	-0.468
6	H	0.307	0.350
7	H	0.307	0.350
8	H	0.212	0.129
9	H	0.212	0.129
10	H	0.201	0.100
11	H	0.201	0.100
12	H	0.196	0.110
13	H	0.196	0.110

	x	y	z	Total
	-0.187	1.388	0.000	1.400
CHELPG
AIM
ESP	-0.152	1.389	0.000	1.397

	x	y	z
x	6.786	-0.061	0.000
y	-0.061	5.808	0.000
z	0.000	0.000	6.960

<r²>	93.811
(<r²>)^1/2	9.686

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

using model chemistry: B3LYP/6-311G*

States and conformations

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