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	hartrees
Energy at 0K	-174.390781
Energy at 298.15K	-174.401130
Nuclear repulsion energy	134.186263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3347	3321	8.33
2	A'	3047	3024	62.77
3	A'	3027	3004	55.52
4	A'	2966	2943	3.96
5	A'	2833	2811	90.79
6	A'	1623	1610	21.95
7	A'	1488	1477	2.75
8	A'	1473	1462	3.23
9	A'	1391	1381	7.57
10	A'	1344	1333	23.35
11	A'	1173	1164	5.20
12	A'	1123	1115	16.19
13	A'	972	965	10.17
14	A'	844	838	105.93
15	A'	788	782	8.10
16	A'	462	459	10.67
17	A'	353	350	0.18
18	A'	255	253	0.21
19	A"	3429	3402	4.94
20	A"	3041	3018	0.19
21	A"	3024	3001	20.45
22	A"	2961	2938	47.48
23	A"	1468	1457	0.01
24	A"	1463	1452	0.23
25	A"	1380	1369	12.32
26	A"	1360	1349	2.00
27	A"	1240	1231	0.06
28	A"	1004	996	1.85
29	A"	937	929	0.09
30	A"	909	902	0.21
31	A"	393	390	6.49
32	A"	296	294	36.42
33	A"	212	210	4.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.367	0.000
N2	-1.407	-0.113	0.000
H3	0.074	1.480	0.000
C4	0.696	-0.148	1.276
C5	0.696	-0.148	-1.276
H6	-1.893	0.280	-0.817
H7	-1.893	0.280	0.817
H8	0.667	-1.249	1.309
H9	0.667	-1.249	-1.309
H10	1.746	0.181	1.312
H11	1.746	0.181	-1.312
H12	0.195	0.231	2.183
H13	0.195	0.231	-2.183

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4871	1.1147	1.5419	1.5419	2.0636	2.0636	2.1845	2.1845	2.1924	2.1924	2.1961	2.1961
N2	1.4871		2.1750	2.4600	2.4600	1.0282	1.0282	2.7036	2.7036	3.4285	3.4285	2.7301	2.7301
H3	1.1147	2.1750		2.1595	2.1595	2.4445	2.4445	3.0840	3.0840	2.4912	2.4912	2.5177	2.5177
C4	1.5419	2.4600	2.1595		2.5518	3.3561	2.6637	1.1017	2.8099	1.1017	2.8126	1.1034	3.5157
C5	1.5419	2.4600	2.1595	2.5518		2.6637	3.3561	2.8099	1.1017	2.8126	1.1017	3.5157	1.1034
H6	2.0636	1.0282	2.4445	3.3561	2.6637		1.6332	3.6624	3.0227	4.2176	3.6745	3.6554	2.4962
H7	2.0636	1.0282	2.4445	2.6637	3.3561	1.6332		3.0227	3.6624	3.6745	4.2176	2.4962	3.6554
H8	2.1845	2.7036	3.0840	1.1017	2.8099	3.6624	3.0227		2.6185	1.7910	3.1748	1.7828	3.8225
H9	2.1845	2.7036	3.0840	2.8099	1.1017	3.0227	3.6624	2.6185		3.1748	1.7910	3.8225	1.7828
H10	2.1924	3.4285	2.4912	1.1017	2.8126	4.2176	3.6745	1.7910	3.1748		2.6243	1.7798	3.8245
H11	2.1924	3.4285	2.4912	2.8126	1.1017	3.6745	4.2176	3.1748	1.7910	2.6243		3.8245	1.7798
H12	2.1961	2.7301	2.5177	1.1034	3.5157	3.6554	2.4962	1.7828	3.8225	1.7798	3.8245		4.3664
H13	2.1961	2.7301	2.5177	3.5157	1.1034	2.4962	3.6554	3.8225	1.7828	3.8245	1.7798	4.3664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.888	C1	N2	H7	108.888
C1	C4	H8	110.337	C1	C4	H10	110.965
C1	C4	H12	111.154	C1	C5	H9	110.337
C1	C5	H11	110.965	C1	C5	H13	111.154
N2	C1	H3	112.647	N2	C1	C4	108.599
N2	C1	C5	108.599	H3	C1	C4	107.675
H3	C1	C5	107.675	C4	C1	C5	111.689
H6	N2	H7	105.158	H8	C4	H10	108.747
H8	C4	H12	107.898	H9	C5	H11	108.747
H9	C5	H13	107.898	H10	C4	H12	107.629
H11	C5	H13	107.629

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

using model chemistry: BLYP/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	0.077
2	N	-0.550
3	H	0.050
4	C	-0.268
5	C	-0.268
6	H	0.214
7	H	0.214
8	H	0.102
9	H	0.102
10	H	0.085
11	H	0.085
12	H	0.079
13	H	0.079

	x	y	z	Total
	-0.134	1.277	0.000	1.284
CHELPG
AIM
ESP

<r²>	94.807
(<r²>)^1/2	9.737

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

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

States and conformations

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