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	hartrees
Energy at 0K	-173.287039
Energy at 298.15K	-173.297404
Nuclear repulsion energy	134.301628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3234	11.26
2	A'	3077	3049	43.56
3	A'	3049	3021	40.79
4	A'	2980	2952	2.95
5	A'	2840	2814	92.00
6	A'	1667	1651	19.82
7	A'	1532	1518	9.25
8	A'	1511	1497	6.61
9	A'	1409	1396	14.65
10	A'	1346	1333	28.84
11	A'	1196	1185	8.24
12	A'	1123	1113	4.76
13	A'	986	977	4.97
14	A'	809	802	6.96
15	A'	711	705	155.61
16	A'	458	454	15.89
17	A'	362	359	0.25
18	A'	266	264	0.23
19	A"	3366	3335	5.23
20	A"	3071	3043	0.61
21	A"	3046	3018	15.66
22	A"	2976	2949	38.61
23	A"	1508	1494	0.11
24	A"	1500	1486	1.84
25	A"	1391	1378	6.50
26	A"	1381	1369	16.73
27	A"	1261	1249	0.13
28	A"	1023	1014	2.14
29	A"	963	955	0.08
30	A"	935	927	0.90
31	A"	389	386	8.20
32	A"	286	284	45.36
33	A"	217	215	8.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.241	0.000
N2	-0.954	1.029	0.000
H3	1.242	0.861	0.000
C4	0.312	-0.639	1.266
C5	0.312	-0.639	-1.266
H6	-0.999	1.637	-0.840
H7	-0.999	1.637	0.840
H8	-0.604	-1.254	1.264
H9	-0.604	-1.254	-1.264
H10	1.201	-1.293	1.287
H11	1.201	-1.293	-1.287
H12	0.316	-0.015	2.179
H13	0.316	-0.015	-2.179

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4915	1.1180	1.5414	1.5414	2.0909	2.0909	2.1613	2.1613	2.1904	2.1904	2.1941	2.1941
N2	1.4915		2.2028	2.4470	2.4470	1.0375	1.0375	2.6335	2.6335	3.4194	3.4194	2.7298	2.7298
H3	1.1180	2.2028		2.1717	2.1717	2.5158	2.5158	3.0787	3.0787	2.5088	2.5088	2.5246	2.5246
C4	1.5414	2.4470	2.1717		2.5317	3.3660	2.6605	1.1032	2.7601	1.1039	2.7810	1.1060	3.5010
C5	1.5414	2.4470	2.1717	2.5317		2.6605	3.3660	2.7601	1.1032	2.7810	1.1039	3.5010	1.1060
H6	2.0909	1.0375	2.5158	3.3660	2.6605		1.6795	3.5974	2.9487	4.2360	3.6907	3.6838	2.5001
H7	2.0909	1.0375	2.5158	2.6605	3.3660	1.6795		2.9487	3.5974	3.6907	4.2360	2.5001	3.6838
H8	2.1613	2.6335	3.0787	1.1032	2.7601	3.5974	2.9487		2.5285	1.8055	3.1252	1.7938	3.7733
H9	2.1613	2.6335	3.0787	2.7601	1.1032	2.9487	3.5974	2.5285		3.1252	1.8055	3.7733	1.7938
H10	2.1904	3.4194	2.5088	1.1039	2.7810	4.2360	3.6907	1.8055	3.1252		2.5736	1.7923	3.7985
H11	2.1904	3.4194	2.5088	2.7810	1.1039	3.6907	4.2360	3.1252	1.8055	2.5736		3.7985	1.7923
H12	2.1941	2.7298	2.5246	1.1060	3.5010	3.6838	2.5001	1.7938	3.7733	1.7923	3.7985		4.3582
H13	2.1941	2.7298	2.5246	3.5010	1.1060	2.5001	3.6838	3.7733	1.7938	3.7985	1.7923	4.3582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.246	C1	N2	H7	110.246
C1	C4	H8	108.485	C1	C4	H10	110.706
C1	C4	H12	110.873	C1	C5	H9	108.485
C1	C5	H11	110.706	C1	C5	H13	110.873
N2	C1	H3	114.408	N2	C1	C4	107.561
N2	C1	C5	107.561	H3	C1	C4	108.443
H3	C1	C5	108.443	C4	C1	C5	110.413
H6	N2	H7	108.070	H8	C4	H10	109.773
H8	C4	H12	108.581	H9	C5	H11	109.773
H9	C5	H13	108.581	H10	C4	H12	108.394
H11	C5	H13	108.394

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

using model chemistry: PBEPBE/3-21G

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	-0.139
2	N	-0.625
3	H	0.171
4	C	-0.561
5	C	-0.561
6	H	0.259
7	H	0.259
8	H	0.215
9	H	0.215
10	H	0.193
11	H	0.193
12	H	0.189
13	H	0.189

	x	y	z	Total
	0.843	1.075	0.000	1.366
CHELPG
AIM
ESP

	x	y	z
x	5.449	-0.600	0.000
y	-0.600	5.700	0.000
z	0.000	0.000	6.202

<r²>	93.996
(<r²>)^1/2	9.695

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

using model chemistry: PBEPBE/3-21G

States and conformations

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