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	hartrees
Energy at 0K	-173.436447
Energy at 298.15K	-173.447149
HF Energy	-173.436447
Nuclear repulsion energy	135.161625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3406	3226	0.99
2	A'	3197	3028	32.48
3	A'	3172	3004	30.57
4	A'	3107	2943	3.87
5	A'	3026	2866	64.63
6	A'	1712	1622	28.10
7	A'	1592	1508	11.03
8	A'	1570	1487	4.83
9	A'	1476	1398	14.92
10	A'	1416	1341	29.46
11	A'	1249	1183	8.54
12	A'	1187	1124	7.81
13	A'	1024	970	2.61
14	A'	840	796	0.41
15	A'	718	680	187.32
16	A'	484	459	17.37
17	A'	386	366	0.27
18	A'	336	319	0.37
19	A"	3510	3325	0.02
20	A"	3192	3023	1.65
21	A"	3169	3002	14.92
22	A"	3104	2940	26.16
23	A"	1569	1486	0.07
24	A"	1559	1477	2.97
25	A"	1458	1381	14.67
26	A"	1443	1367	8.62
27	A"	1292	1224	0.08
28	A"	1059	1003	1.40
29	A"	1008	955	0.30
30	A"	987	935	0.80
31	A"	410	389	10.18
32	A"	319	302	19.46
33	A"	278	263	31.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.242	0.000
N2	-0.943	1.027	0.000
H3	1.224	0.865	0.000
C4	0.312	-0.635	1.260
C5	0.312	-0.635	-1.260
H6	-1.037	1.607	-0.839
H7	-1.037	1.607	0.839
H8	-0.593	-1.248	1.253
H9	-0.593	-1.248	-1.253
H10	1.195	-1.282	1.282
H11	1.195	-1.282	-1.282
H12	0.311	-0.018	2.165
H13	0.311	-0.018	-2.165

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4804	1.1035	1.5351	1.5351	2.0944	2.0944	2.1472	2.1472	2.1782	2.1782	2.1805	2.1805
N2	1.4804		2.1725	2.4342	2.4342	1.0242	1.0242	2.6204	2.6204	3.3977	3.3977	2.7112	2.7112
H3	1.1035	2.1725		2.1602	2.1602	2.5228	2.5228	3.0552	3.0552	2.5003	2.5003	2.5097	2.5097
C4	1.5351	2.4342	2.1602		2.5192	3.3543	2.6503	1.0936	2.7402	1.0944	2.7668	1.0959	3.4797
C5	1.5351	2.4342	2.1602	2.5192		2.6503	3.3543	2.7402	1.0936	2.7668	1.0944	3.4797	1.0959
H6	2.0944	1.0242	2.5228	3.3543	2.6503		1.6782	3.5666	2.9182	4.2218	3.6772	3.6715	2.4927
H7	2.0944	1.0242	2.5228	2.6503	3.3543	1.6782		2.9182	3.5666	3.6772	4.2218	2.4927	3.6715
H8	2.1472	2.6204	3.0552	1.0936	2.7402	3.5666	2.9182		2.5059	1.7892	3.1024	1.7784	3.7434
H9	2.1472	2.6204	3.0552	2.7402	1.0936	2.9182	3.5666	2.5059		3.1024	1.7892	3.7434	1.7784
H10	2.1782	3.3977	2.5003	1.0944	2.7668	4.2218	3.6772	1.7892	3.1024		2.5633	1.7776	3.7760
H11	2.1782	3.3977	2.5003	2.7668	1.0944	3.6772	4.2218	3.1024	1.7892	2.5633		3.7760	1.7776
H12	2.1805	2.7112	2.5097	1.0959	3.4797	3.6715	2.4927	1.7784	3.7434	1.7776	3.7760		4.3298
H13	2.1805	2.7112	2.5097	3.4797	1.0959	2.4927	3.6715	3.7434	1.7784	3.7760	1.7776	4.3298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.207	C1	N2	H7	112.207
C1	C4	H8	108.370	C1	C4	H10	110.749
C1	C4	H12	110.841	C1	C5	H9	108.370
C1	C5	H11	110.749	C1	C5	H13	110.841
N2	C1	H3	113.649	N2	C1	C4	107.638
N2	C1	C5	107.638	H3	C1	C4	108.810
H3	C1	C5	108.810	C4	C1	C5	110.276
H6	N2	H7	110.022	H8	C4	H10	109.714
H8	C4	H12	108.634	H9	C5	H11	109.714
H9	C5	H13	108.634	H10	C4	H12	108.504
H11	C5	H13	108.504

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

using model chemistry: M06-2X/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	-0.128
2	N	-0.675
3	H	0.173
4	C	-0.533
5	C	-0.533
6	H	0.269
7	H	0.269
8	H	0.209
9	H	0.209
10	H	0.186
11	H	0.186
12	H	0.184
13	H	0.184

	x	y	z	Total
	0.842	1.029	0.000	1.330
CHELPG
AIM
ESP

	x	y	z
x	5.179	-0.570	0.000
y	-0.570	5.360	0.000
z	0.000	0.000	5.901

<r²>	93.197
(<r²>)^1/2	9.654

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

using model chemistry: M06-2X/3-21G*

States and conformations

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