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	hartrees
Energy at 0K	-174.494900
Energy at 298.15K	-174.505326
HF Energy	-174.494900
Nuclear repulsion energy	135.206109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3425	3286	6.82
2	A'	3133	3005	69.85
3	A'	3112	2985	62.04
4	A'	3047	2923	4.84
5	A'	2930	2811	95.06
6	A'	1703	1633	28.42
7	A'	1551	1488	4.06
8	A'	1537	1474	3.27
9	A'	1449	1390	8.67
10	A'	1392	1336	22.19
11	A'	1218	1169	4.95
12	A'	1169	1122	20.34
13	A'	1011	970	8.71
14	A'	890	853	121.79
15	A'	822	789	3.26
16	A'	461	443	10.91
17	A'	351	336	0.08
18	A'	262	251	0.22
19	A"	3511	3368	3.80
20	A"	3128	3001	0.52
21	A"	3109	2983	23.15
22	A"	3043	2919	54.68
23	A"	1531	1469	0.05
24	A"	1526	1464	0.35
25	A"	1439	1381	11.93
26	A"	1411	1354	1.74
27	A"	1284	1232	0.06
28	A"	1044	1002	1.49
29	A"	970	931	0.23
30	A"	936	898	0.22
31	A"	392	376	7.83
32	A"	297	285	40.24
33	A"	216	208	5.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.295	0.223	0.000
N2	-0.920	1.051	0.000
H3	1.224	0.824	0.000
C4	0.295	-0.641	1.264
C5	0.295	-0.641	-1.264
H6	-0.926	1.660	-0.818
H7	-0.926	1.660	0.818
H8	-0.601	-1.272	1.288
H9	-0.601	-1.272	-1.288
H10	1.182	-1.284	1.297
H11	1.182	-1.284	-1.297
H12	0.298	-0.018	2.168
H13	0.298	-0.018	-2.168

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4700	1.1069	1.5314	1.5314	2.0557	2.0557	2.1673	2.1673	2.1774	2.1774	2.1813	2.1813
N2	1.4700		2.1559	2.4367	2.4367	1.0197	1.0197	2.6756	2.6756	3.3990	3.3990	2.7066	2.7066
H3	1.1069	2.1559		2.1469	2.1469	2.4481	2.4481	3.0635	3.0635	2.4757	2.4757	2.5038	2.5038
C4	1.5314	2.4367	2.1469		2.5282	3.3352	2.6436	1.0958	2.7777	1.0959	2.7859	1.0976	3.4881
C5	1.5314	2.4367	2.1469	2.5282		2.6436	3.3352	2.7777	1.0958	2.7859	1.0959	3.4881	1.0976
H6	2.0557	1.0197	2.4481	3.3352	2.6436		1.6355	3.6249	2.9876	4.1938	3.6530	3.6374	2.4778
H7	2.0557	1.0197	2.4481	2.6436	3.3352	1.6355		2.9876	3.6249	3.6530	4.1938	2.4778	3.6374
H8	2.1673	2.6756	3.0635	1.0958	2.7777	3.6249	2.9876		2.5769	1.7830	3.1409	1.7753	3.7848
H9	2.1673	2.6756	3.0635	2.7777	1.0958	2.9876	3.6249	2.5769		3.1409	1.7830	3.7848	1.7753
H10	2.1774	3.3990	2.4757	1.0959	2.7859	4.1938	3.6530	1.7830	3.1409		2.5946	1.7725	3.7936
H11	2.1774	3.3990	2.4757	2.7859	1.0959	3.6530	4.1938	3.1409	1.7830	2.5946		3.7936	1.7725
H12	2.1813	2.7066	2.5038	1.0976	3.4881	3.6374	2.4778	1.7753	3.7848	1.7725	3.7936		4.3358
H13	2.1813	2.7066	2.5038	3.4881	1.0976	2.4778	3.6374	3.7848	1.7753	3.7936	1.7725	4.3358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.002	C1	N2	H7	110.002
C1	C4	H8	110.066	C1	C4	H10	110.855
C1	C4	H12	111.069	C1	C5	H9	110.066
C1	C5	H11	110.855	C1	C5	H13	111.069
N2	C1	H3	112.814	N2	C1	C4	108.543
N2	C1	C5	108.543	H3	C1	C4	107.849
H3	C1	C5	107.849	C4	C1	C5	111.276
H6	N2	H7	106.635	H8	C4	H10	108.880
H8	C4	H12	108.073	H9	C5	H11	108.880
H9	C5	H13	108.073	H10	C4	H12	107.809
H11	C5	H13	107.809

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

using model chemistry: TPSSh/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	0.005
2	N	-0.730
3	H	0.126
4	C	-0.469
5	C	-0.469
6	H	0.300
7	H	0.300
8	H	0.170
9	H	0.170
10	H	0.153
11	H	0.153
12	H	0.147
13	H	0.147

	x	y	z	Total
	1.022	0.929	0.000	1.381
CHELPG
AIM
ESP

	x	y	z
x	5.669	-0.508	0.000
y	-0.508	6.037	0.000
z	0.000	0.000	6.439

<r²>	93.399
(<r²>)^1/2	9.664

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

using model chemistry: TPSSh/6-31G*

States and conformations

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