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	hartrees
Energy at 0K	-172.594435
Energy at 298.15K	-172.604800
Nuclear repulsion energy	135.953495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3338	2.22
2	A'	3084	3084	30.04
3	A'	3059	3059	27.24
4	A'	2979	2979	2.42
5	A'	2819	2819	96.46
6	A'	1642	1642	33.74
7	A'	1513	1513	12.85
8	A'	1487	1487	8.72
9	A'	1390	1390	26.69
10	A'	1346	1346	38.91
11	A'	1205	1205	7.73
12	A'	1142	1142	6.85
13	A'	1000	1000	0.57
14	A'	839	839	0.64
15	A'	622	622	202.19
16	A'	466	466	19.84
17	A'	365	365	0.08
18	A'	278	278	0.42
19	A"	3450	3450	0.15
20	A"	3079	3079	0.11
21	A"	3056	3056	13.53
22	A"	2977	2977	26.99
23	A"	1485	1485	0.15
24	A"	1475	1475	3.64
25	A"	1381	1381	2.93
26	A"	1371	1371	33.94
27	A"	1247	1247	0.09
28	A"	1028	1028	0.60
29	A"	968	968	0.23
30	A"	934	934	2.15
31	A"	403	403	12.12
32	A"	286	286	37.39
33	A"	225	225	9.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.308	0.245	0.000
N2	-0.928	1.015	0.000
H3	1.247	0.857	0.000
C4	0.308	-0.628	1.243
C5	0.308	-0.628	-1.243
H6	-1.040	1.590	-0.849
H7	-1.040	1.590	0.849
H8	-0.610	-1.241	1.227
H9	-0.610	-1.241	-1.227
H10	1.197	-1.283	1.266
H11	1.197	-1.283	-1.266
H12	0.303	-0.012	2.162
H13	0.303	-0.012	-2.162

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4570	1.1211	1.5189	1.5189	2.0855	2.0855	2.1346	2.1346	2.1740	2.1740	2.1774	2.1774
N2	1.4570		2.1811	2.4030	2.4030	1.0317	1.0317	2.5878	2.5878	3.3763	3.3763	2.6920	2.6920
H3	1.1211	2.1811		2.1526	2.1526	2.5474	2.5474	3.0591	3.0591	2.4876	2.4876	2.5143	2.5143
C4	1.5189	2.4030	2.1526		2.4867	3.3341	2.6251	1.1043	2.7061	1.1039	2.7418	1.1062	3.4608
C5	1.5189	2.4030	2.1526	2.4867		2.6251	3.3341	2.7061	1.1043	2.7418	1.1039	3.4608	1.1062
H6	2.0855	1.0317	2.5474	3.3341	2.6251		1.6990	3.5370	2.8879	4.2110	3.6646	3.6662	2.4686
H7	2.0855	1.0317	2.5474	2.6251	3.3341	1.6990		2.8879	3.5370	3.6646	4.2110	2.4686	3.6662
H8	2.1346	2.5878	3.0591	1.1043	2.7061	3.5370	2.8879		2.4546	1.8075	3.0796	1.7940	3.7193
H9	2.1346	2.5878	3.0591	2.7061	1.1043	2.8879	3.5370	2.4546		3.0796	1.8075	3.7193	1.7940
H10	2.1740	3.3763	2.4876	1.1039	2.7418	4.2110	3.6646	1.8075	3.0796		2.5329	1.7932	3.7642
H11	2.1740	3.3763	2.4876	2.7418	1.1039	3.6646	4.2110	3.0796	1.8075	2.5329		3.7642	1.7932
H12	2.1774	2.6920	2.5143	1.1062	3.4608	3.6662	2.4686	1.7940	3.7193	1.7932	3.7642		4.3245
H13	2.1774	2.6920	2.5143	3.4608	1.1062	2.4686	3.6662	3.7193	1.7940	3.7642	1.7932	4.3245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.739	C1	N2	H7	112.739
C1	C4	H8	107.877	C1	C4	H10	110.977
C1	C4	H12	111.110	C1	C5	H9	107.877
C1	C5	H11	110.977	C1	C5	H13	111.110
N2	C1	H3	114.941	N2	C1	C4	107.680
N2	C1	C5	107.680	H3	C1	C4	108.302
H3	C1	C5	108.302	C4	C1	C5	109.883
H6	N2	H7	110.846	H8	C4	H10	109.878
H8	C4	H12	108.505	H9	C5	H11	109.878
H9	C5	H13	108.505	H10	C4	H12	108.461
H11	C5	H13	108.461

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

using model chemistry: SVWN/3-21G*

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	-0.142
2	N	-0.643
3	H	0.174
4	C	-0.590
5	C	-0.590
6	H	0.272
7	H	0.272
8	H	0.223
9	H	0.223
10	H	0.202
11	H	0.202
12	H	0.198
13	H	0.198

	x	y	z	Total
	0.576	1.131	0.000	1.269
CHELPG
AIM
ESP

	x	y	z
x	5.516	-0.582	0.000
y	-0.582	5.598	0.000
z	0.000	0.000	6.150

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/3-21G*

States and conformations

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