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	hartrees
Energy at 0K	-174.440615
Energy at 298.15K	-174.451084
Nuclear repulsion energy	135.597394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3507	3361	2.35
2	A'	3144	3013	52.81
3	A'	3125	2995	46.62
4	A'	3050	2923	4.66
5	A'	2933	2811	86.59
6	A'	1666	1596	32.34
7	A'	1519	1456	4.28
8	A'	1503	1441	4.65
9	A'	1422	1363	17.75
10	A'	1385	1328	18.78
11	A'	1211	1161	6.39
12	A'	1167	1119	21.00
13	A'	1005	964	3.73
14	A'	863	827	128.84
15	A'	830	795	4.95
16	A'	472	452	11.99
17	A'	361	346	0.14
18	A'	264	253	0.25
19	A"	3598	3448	0.43
20	A"	3139	3009	0.14
21	A"	3123	2993	20.25
22	A"	3045	2919	42.54
23	A"	1498	1436	0.09
24	A"	1493	1430	0.28
25	A"	1425	1365	17.69
26	A"	1387	1330	0.03
27	A"	1271	1218	0.01
28	A"	1043	1000	1.18
29	A"	965	925	0.49
30	A"	930	892	0.50
31	A"	404	387	7.25
32	A"	300	288	39.25
33	A"	219	209	5.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.364	0.000
N2	-1.391	-0.095	0.000
H3	0.084	1.468	0.000
C4	0.687	-0.153	1.261
C5	0.687	-0.153	-1.261
H6	-1.876	0.277	-0.813
H7	-1.876	0.277	0.813
H8	0.646	-1.246	1.291
H9	0.646	-1.246	-1.291
H10	1.735	0.162	1.294
H11	1.735	0.162	-1.294
H12	0.197	0.228	2.164
H13	0.197	0.228	-2.164

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4646	1.1073	1.5259	1.5259	2.0461	2.0461	2.1624	2.1624	2.1744	2.1744	2.1771	2.1771
N2	1.4646		2.1490	2.4313	2.4313	1.0167	1.0167	2.6722	2.6722	3.3933	3.3933	2.7032	2.7032
H3	1.1073	2.1490		2.1401	2.1401	2.4333	2.4333	3.0577	3.0577	2.4718	2.4718	2.4965	2.4965
C4	1.5259	2.4313	2.1401		2.5212	3.3245	2.6370	1.0948	2.7761	1.0946	2.7795	1.0962	3.4804
C5	1.5259	2.4313	2.1401	2.5212		2.6370	3.3245	2.7761	1.0948	2.7795	1.0946	3.4804	1.0962
H6	2.0461	1.0167	2.4333	3.3245	2.6370		1.6256	3.6198	2.9844	4.1825	3.6448	3.6274	2.4744
H7	2.0461	1.0167	2.4333	2.6370	3.3245	1.6256		2.9844	3.6198	3.6448	4.1825	2.4744	3.6274
H8	2.1624	2.6722	3.0577	1.0948	2.7761	3.6198	2.9844		2.5813	1.7799	3.1386	1.7716	3.7829
H9	2.1624	2.6722	3.0577	2.7761	1.0948	2.9844	3.6198	2.5813		3.1386	1.7799	3.7829	1.7716
H10	2.1744	3.3933	2.4718	1.0946	2.7795	4.1825	3.6448	1.7799	3.1386		2.5889	1.7686	3.7858
H11	2.1744	3.3933	2.4718	2.7795	1.0946	3.6448	4.1825	3.1386	1.7799	2.5889		3.7858	1.7686
H12	2.1771	2.7032	2.4965	1.0962	3.4804	3.6274	2.4744	1.7716	3.7829	1.7686	3.7858		4.3279
H13	2.1771	2.7032	2.4965	3.4804	1.0962	2.4744	3.6274	3.7829	1.7716	3.7858	1.7686	4.3279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.775	C1	N2	H7	109.775
C1	C4	H8	110.116	C1	C4	H10	111.076
C1	C4	H12	111.194	C1	C5	H9	110.116
C1	C5	H11	111.076	C1	C5	H13	111.194
N2	C1	H3	112.611	N2	C1	C4	108.763
N2	C1	C5	108.763	H3	C1	C4	107.663
H3	C1	C5	107.663	C4	C1	C5	111.408
H6	N2	H7	106.156	H8	C4	H10	108.773
H8	C4	H12	107.917	H9	C5	H11	108.773
H9	C5	H13	107.917	H10	C4	H12	107.658
H11	C5	H13	107.658

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

using model chemistry: B3PW91/6-31G**

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	0.007
2	N	-0.622
3	H	0.096
4	C	-0.370
5	C	-0.370
6	H	0.250
7	H	0.250
8	H	0.140
9	H	0.140
10	H	0.123
11	H	0.123
12	H	0.117
13	H	0.117

	x	y	z	Total
	-0.151	1.309	0.000	1.317
CHELPG
AIM
ESP

<r²>	92.922
(<r²>)^1/2	9.640

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

using model chemistry: B3PW91/6-31G**

States and conformations

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