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	hartrees
Energy at 0K	-174.457886
Energy at 298.15K	-174.468384
Nuclear repulsion energy	135.869780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3363	1.71
2	A'	3163	3010	50.67
3	A'	3145	2992	44.55
4	A'	3067	2918	4.62
5	A'	2956	2813	84.17
6	A'	1675	1594	33.79
7	A'	1527	1453	4.41
8	A'	1511	1438	4.83
9	A'	1431	1361	19.49
10	A'	1394	1326	17.96
11	A'	1220	1161	6.51
12	A'	1176	1119	21.65
13	A'	1013	964	3.24
14	A'	868	826	130.48
15	A'	838	798	4.37
16	A'	474	451	12.01
17	A'	363	345	0.13
18	A'	267	254	0.26
19	A"	3626	3450	0.17
20	A"	3159	3005	0.11
21	A"	3142	2990	20.04
22	A"	3063	2915	40.69
23	A"	1506	1433	0.09
24	A"	1500	1427	0.27
25	A"	1435	1365	18.23
26	A"	1395	1327	0.10
27	A"	1278	1216	0.01
28	A"	1051	1000	1.04
29	A"	971	924	0.56
30	A"	935	890	0.52
31	A"	406	387	7.43
32	A"	302	287	39.30
33	A"	221	210	5.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.365	0.000
N2	-1.387	-0.094	0.000
H3	0.083	1.467	0.000
C4	0.686	-0.153	1.258
C5	0.686	-0.153	-1.258
H6	-1.872	0.274	-0.812
H7	-1.872	0.274	0.812
H8	0.642	-1.245	1.286
H9	0.642	-1.245	-1.286
H10	1.733	0.159	1.291
H11	1.733	0.159	-1.291
H12	0.196	0.228	2.160
H13	0.196	0.228	-2.160

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4613	1.1055	1.5231	1.5231	2.0426	2.0426	2.1578	2.1578	2.1706	2.1706	2.1732	2.1732
N2	1.4613		2.1448	2.4255	2.4255	1.0147	1.0147	2.6641	2.6641	3.3862	3.3862	2.6976	2.6976
H3	1.1055	2.1448		2.1372	2.1372	2.4303	2.4303	3.0527	3.0527	2.4693	2.4693	2.4929	2.4929
C4	1.5231	2.4255	2.1372		2.5154	3.3178	2.6313	1.0933	2.7684	1.0930	2.7730	1.0946	3.4734
C5	1.5231	2.4255	2.1372	2.5154		2.6313	3.3178	2.7684	1.0933	2.7730	1.0930	3.4734	1.0946
H6	2.0426	1.0147	2.4303	3.3178	2.6313		1.6237	3.6096	2.9755	4.1750	3.6385	3.6211	2.4694
H7	2.0426	1.0147	2.4303	2.6313	3.3178	1.6237		2.9755	3.6096	3.6385	4.1750	2.4694	3.6211
H8	2.1578	2.6641	3.0527	1.0933	2.7684	3.6096	2.9755		2.5716	1.7777	3.1306	1.7694	3.7736
H9	2.1578	2.6641	3.0527	2.7684	1.0933	2.9755	3.6096	2.5716		3.1306	1.7777	3.7736	1.7694
H10	2.1706	3.3862	2.4693	1.0930	2.7730	4.1750	3.6385	1.7777	3.1306		2.5821	1.7665	3.7782
H11	2.1706	3.3862	2.4693	2.7730	1.0930	3.6385	4.1750	3.1306	1.7777	2.5821		3.7782	1.7665
H12	2.1732	2.6976	2.4929	1.0946	3.4734	3.6211	2.4694	1.7694	3.7736	1.7665	3.7782		4.3199
H13	2.1732	2.6976	2.4929	3.4734	1.0946	2.4694	3.6211	3.7736	1.7694	3.7782	1.7665	4.3199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.857	C1	N2	H7	109.857
C1	C4	H8	110.038	C1	C4	H10	111.074
C1	C4	H12	111.183	C1	C5	H9	110.038
C1	C5	H11	111.074	C1	C5	H13	111.183
N2	C1	H3	112.624	N2	C1	C4	108.714
N2	C1	C5	108.714	H3	C1	C4	107.742
H3	C1	C5	107.742	C4	C1	C5	111.334
H6	N2	H7	106.282	H8	C4	H10	108.801
H8	C4	H12	107.941	H9	C5	H11	108.801
H9	C5	H13	107.941	H10	C4	H12	107.701
H11	C5	H13	107.701

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

using model chemistry: mPW1PW91/6-31G**

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	-0.001
2	N	-0.627
3	H	0.101
4	C	-0.377
5	C	-0.377
6	H	0.252
7	H	0.252
8	H	0.143
9	H	0.143
10	H	0.126
11	H	0.126
12	H	0.120
13	H	0.120

	x	y	z	Total
	-0.152	1.311	0.000	1.320
CHELPG
AIM
ESP

<r²>	92.582
(<r²>)^1/2	9.622

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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