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	hartrees
Energy at 0K	-173.353504
Energy at 298.15K	-173.364244
Nuclear repulsion energy	136.281987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3732	3390	0.30
2	A'	3227	2932	86.88
3	A'	3208	2915	74.61
4	A'	3155	2867	5.11
5	A'	3076	2795	71.66
6	A'	1791	1627	40.68
7	A'	1625	1476	5.36
8	A'	1613	1465	5.05
9	A'	1543	1402	14.15
10	A'	1499	1362	21.48
11	A'	1299	1181	8.47
12	A'	1260	1145	19.18
13	A'	1064	967	6.29
14	A'	912	828	132.12
15	A'	866	787	1.71
16	A'	507	460	10.90
17	A'	389	353	0.15
18	A'	285	259	0.25
19	A"	3808	3460	1.40
20	A"	3218	2924	0.77
21	A"	3203	2911	26.63
22	A"	3149	2861	55.77
23	A"	1608	1461	0.17
24	A"	1602	1456	0.17
25	A"	1546	1404	15.64
26	A"	1505	1367	0.28
27	A"	1357	1233	0.81
28	A"	1104	1003	1.24
29	A"	1031	937	0.11
30	A"	1001	910	0.05
31	A"	430	391	5.66
32	A"	302	274	32.29
33	A"	230	209	7.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.288	0.214	0.000
N2	-0.896	1.063	0.000
H3	1.203	0.809	0.000
C4	0.288	-0.642	1.259
C5	0.288	-0.642	-1.259
H6	-0.922	1.653	-0.805
H7	-0.922	1.653	0.805
H8	-0.593	-1.272	1.290
H9	-0.593	-1.272	-1.290
H10	1.168	-1.274	1.295
H11	1.168	-1.274	-1.295
H12	0.289	-0.023	2.151
H13	0.289	-0.023	-2.151

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4574	1.0915	1.5226	1.5226	2.0456	2.0456	2.1559	2.1559	2.1601	2.1601	2.1636	2.1636
N2	1.4574		2.1151	2.4281	2.4281	0.9984	0.9984	2.6846	2.6846	3.3766	3.3766	2.6850	2.6850
H3	1.0915	2.1151		2.1278	2.1278	2.4249	2.4249	3.0364	3.0364	2.4529	2.4529	2.4803	2.4803
C4	1.5226	2.4281	2.1278		2.5188	3.3157	2.6340	1.0837	2.7701	1.0839	2.7750	1.0852	3.4657
C5	1.5226	2.4281	2.1278	2.5188		2.6340	3.3157	2.7701	1.0837	2.7750	1.0839	3.4657	1.0852
H6	2.0456	0.9984	2.4249	3.3157	2.6340		1.6102	3.6127	2.9828	4.1652	3.6300	3.6072	2.4670
H7	2.0456	0.9984	2.4249	2.6340	3.3157	1.6102		2.9828	3.6127	3.6300	4.1652	2.4670	3.6072
H8	2.1559	2.6846	3.0364	1.0837	2.7701	3.6127	2.9828		2.5802	1.7612	3.1284	1.7548	3.7653
H9	2.1559	2.6846	3.0364	2.7701	1.0837	2.9828	3.6127	2.5802		3.1284	1.7612	3.7653	1.7548
H10	2.1601	3.3766	2.4529	1.0839	2.7750	4.1652	3.6300	1.7612	3.1284		2.5909	1.7519	3.7700
H11	2.1601	3.3766	2.4529	2.7750	1.0839	3.6300	4.1652	3.1284	1.7612	2.5909		3.7700	1.7519
H12	2.1636	2.6850	2.4803	1.0852	3.4657	3.6072	2.4670	1.7548	3.7653	1.7519	3.7700		4.3012
H13	2.1636	2.6850	2.4803	3.4657	1.0852	2.4670	3.6072	3.7653	1.7548	3.7700	1.7519	4.3012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.433	C1	N2	H7	111.433
C1	C4	H8	110.490	C1	C4	H10	110.813
C1	C4	H12	111.015	C1	C5	H9	110.490
C1	C5	H11	110.813	C1	C5	H13	111.015
N2	C1	H3	111.348	N2	C1	C4	109.116
N2	C1	C5	109.116	H3	C1	C4	107.830
H3	C1	C5	107.830	C4	C1	C5	111.609
H6	N2	H7	107.486	H8	C4	H10	108.676
H8	C4	H12	108.005	H9	C5	H11	108.676
H9	C5	H13	108.005	H10	C4	H12	107.738
H11	C5	H13	107.738

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.300
2	N	-0.929
3	H	0.093
4	C	-0.283
5	C	-0.283
6	H	0.173
7	H	0.173
8	H	0.141
9	H	0.141
10	H	0.126
11	H	0.126
12	H	0.111
13	H	0.111

	x	y	z	Total
	1.034	0.786	0.000	1.299
CHELPG
AIM
ESP

	x	y	z
x	6.472	-0.350	0.000
y	-0.350	6.718	0.000
z	0.000	0.000	7.068

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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