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	hartrees
Energy at 0K	-173.320891
Energy at 298.15K	-173.331670
Nuclear repulsion energy	136.163161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3737	3379	1.58
2	A'	3252	2941	109.24
3	A'	3229	2920	93.39
4	A'	3177	2873	4.89
5	A'	3098	2802	94.70
6	A'	1857	1679	47.53
7	A'	1643	1486	6.42
8	A'	1630	1474	3.19
9	A'	1556	1407	14.70
10	A'	1512	1367	18.56
11	A'	1307	1182	5.79
12	A'	1273	1151	29.74
13	A'	1072	970	4.54
14	A'	964	872	148.75
15	A'	871	788	0.41
16	A'	508	460	11.32
17	A'	392	355	0.13
18	A'	288	261	0.19
19	A"	3807	3443	0.42
20	A"	3243	2933	1.57
21	A"	3224	2915	30.74
22	A"	3170	2867	69.41
23	A"	1623	1468	0.09
24	A"	1620	1465	0.10
25	A"	1562	1413	16.60
26	A"	1515	1371	0.30
27	A"	1375	1243	0.06
28	A"	1118	1011	1.47
29	A"	1037	938	0.06
30	A"	1009	912	0.00
31	A"	431	389	5.79
32	A"	313	283	45.67
33	A"	237	214	8.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.362	0.000
N2	-1.388	-0.088	0.000
H3	0.069	1.453	0.000
C4	0.687	-0.152	1.260
C5	0.687	-0.152	-1.260
H6	-1.872	0.258	-0.803
H7	-1.872	0.258	0.803
H8	0.654	-1.236	1.294
H9	0.654	-1.236	-1.294
H10	1.724	0.164	1.297
H11	1.724	0.164	-1.297
H12	0.198	0.224	2.155
H13	0.198	0.224	-2.155

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4597	1.0933	1.5243	1.5243	2.0395	2.0395	2.1573	2.1573	2.1667	2.1667	2.1682	2.1682
N2	1.4597		2.1216	2.4286	2.4286	0.9994	0.9994	2.6758	2.6758	3.3816	3.3816	2.6939	2.6939
H3	1.0933	2.1216		2.1321	2.1321	2.4166	2.4166	3.0406	3.0406	2.4666	2.4666	2.4841	2.4841
C4	1.5243	2.4286	2.1321		2.5198	3.3122	2.6314	1.0846	2.7741	1.0853	2.7773	1.0867	3.4698
C5	1.5243	2.4286	2.1321	2.5198		2.6314	3.3122	2.7741	1.0846	2.7773	1.0853	3.4698	1.0867
H6	2.0395	0.9994	2.4166	3.3122	2.6314		1.6059	3.6064	2.9752	4.1655	3.6313	3.6102	2.4725
H7	2.0395	0.9994	2.4166	2.6314	3.3122	1.6059		2.9752	3.6064	3.6313	4.1655	2.4725	3.6102
H8	2.1573	2.6758	3.0406	1.0846	2.7741	3.6064	2.9752		2.5872	1.7624	3.1331	1.7548	3.7721
H9	2.1573	2.6758	3.0406	2.7741	1.0846	2.9752	3.6064	2.5872		3.1331	1.7624	3.7721	1.7548
H10	2.1667	3.3816	2.4666	1.0853	2.7773	4.1655	3.6313	1.7624	3.1331		2.5937	1.7520	3.7745
H11	2.1667	3.3816	2.4666	2.7773	1.0853	3.6313	4.1655	3.1331	1.7624	2.5937		3.7745	1.7520
H12	2.1682	2.6939	2.4841	1.0867	3.4698	3.6102	2.4725	1.7548	3.7721	1.7520	3.7745		4.3094
H13	2.1682	2.6939	2.4841	3.4698	1.0867	2.4725	3.6102	3.7721	1.7548	3.7745	1.7520	4.3094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.674	C1	N2	H7	110.674
C1	C4	H8	110.423	C1	C4	H10	111.142
C1	C4	H12	111.175	C1	C5	H9	110.423
C1	C5	H11	111.142	C1	C5	H13	111.175
N2	C1	H3	111.603	N2	C1	C4	108.934
N2	C1	C5	108.934	H3	C1	C4	107.949
H3	C1	C5	107.949	C4	C1	C5	111.489
H6	N2	H7	106.919	H8	C4	H10	108.614
H8	C4	H12	107.831	H9	C5	H11	108.614
H9	C5	H13	107.831	H10	C4	H12	107.530
H11	C5	H13	107.530

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

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	C	-0.043	0.739	0.707
2	N	-0.825	-1.096	-1.072
3	H	0.172	-0.150	-0.103
4	C	-0.600	-0.282	-0.477
5	C	-0.600	-0.282	-0.477
6	H	0.330	0.372	0.373
7	H	0.330	0.372	0.373
8	H	0.217	0.070	0.131
9	H	0.217	0.070	0.131
10	H	0.203	0.037	0.097
11	H	0.203	0.037	0.097
12	H	0.198	0.057	0.110
13	H	0.198	0.057	0.110

	x	y	z	Total
	-0.123	1.425	0.000	1.430
CHELPG
AIM
ESP	-0.090	1.420	0.000	1.423

	x	y	z
x	6.220	-0.038	0.000
y	-0.038	5.408	0.000
z	0.000	0.000	6.399

<r²>	93.018
(<r²>)^1/2	9.645

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

using model chemistry: HF/6-311G*

States and conformations

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