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	hartrees
Energy at 0K	-173.580048
Energy at 298.15K	-173.590439
Nuclear repulsion energy	136.559728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3404	3371	2.18
2	A'	3056	3026	40.53
3	A'	3037	3008	35.30
4	A'	2962	2933	4.75
5	A'	2832	2805	88.17
6	A'	1636	1621	54.52
7	A'	1456	1442	13.37
8	A'	1436	1422	8.73
9	A'	1355	1342	36.31
10	A'	1324	1311	13.76
11	A'	1182	1171	6.43
12	A'	1134	1123	18.15
13	A'	985	976	1.61
14	A'	840	832	9.66
15	A'	808	800	143.82
16	A'	466	461	13.27
17	A'	356	353	0.07
18	A'	269	266	0.15
19	A"	3490	3457	0.07
20	A"	3052	3023	0.35
21	A"	3035	3006	17.85
22	A"	2959	2930	35.49
23	A"	1431	1417	0.08
24	A"	1425	1412	0.70
25	A"	1373	1360	23.86
26	A"	1325	1312	9.70
27	A"	1228	1216	0.42
28	A"	1037	1027	0.27
29	A"	937	928	0.93
30	A"	896	888	0.67
31	A"	404	400	10.47
32	A"	292	289	37.43
33	A"	214	212	7.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.224	0.000
N2	-0.909	1.031	0.000
H3	1.229	0.835	0.000
C4	0.294	-0.630	1.241
C5	0.294	-0.630	-1.241
H6	-0.932	1.638	-0.825
H7	-0.932	1.638	0.825
H8	-0.616	-1.253	1.257
H9	-0.616	-1.253	-1.257
H10	1.177	-1.287	1.278
H11	1.177	-1.287	-1.278
H12	0.296	-0.014	2.157
H13	0.296	-0.014	-2.157

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4479	1.1169	1.5064	1.5064	2.0444	2.0444	2.1422	2.1422	2.1675	2.1675	2.1696	2.1696
N2	1.4479		2.1468	2.3965	2.3965	1.0242	1.0242	2.6230	2.6230	3.3699	3.3699	2.6821	2.6821
H3	1.1169	2.1468		2.1354	2.1354	2.4481	2.4481	3.0565	3.0565	2.4778	2.4778	2.4983	2.4983
C4	1.5064	2.3965	2.1354		2.4818	3.3030	2.6110	1.1028	2.7300	1.1015	2.7492	1.1034	3.4528
C5	1.5064	2.3965	2.1354	2.4818		2.6110	3.3030	2.7300	1.1028	2.7492	1.1015	3.4528	1.1034
H6	2.0444	1.0242	2.4481	3.3030	2.6110		1.6490	3.5760	2.9400	4.1741	3.6342	3.6225	2.4516
H7	2.0444	1.0242	2.4481	2.6110	3.3030	1.6490		2.9400	3.5760	3.6342	4.1741	2.4516	3.6225
H8	2.1422	2.6230	3.0565	1.1028	2.7300	3.5760	2.9400		2.5131	1.7932	3.1048	1.7824	3.7438
H9	2.1422	2.6230	3.0565	2.7300	1.1028	2.9400	3.5760	2.5131		3.1048	1.7932	3.7438	1.7824
H10	2.1675	3.3699	2.4778	1.1015	2.7492	4.1741	3.6342	1.7932	3.1048		2.5564	1.7799	3.7675
H11	2.1675	3.3699	2.4778	2.7492	1.1015	3.6342	4.1741	3.1048	1.7932	2.5564		3.7675	1.7799
H12	2.1696	2.6821	2.4983	1.1034	3.4528	3.6225	2.4516	1.7824	3.7438	1.7799	3.7675		4.3130
H13	2.1696	2.6821	2.4983	3.4528	1.1034	2.4516	3.6225	3.7438	1.7824	3.7675	1.7799	4.3130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.408	C1	N2	H7	110.408
C1	C4	H8	109.397	C1	C4	H10	111.482
C1	C4	H12	111.539	C1	C5	H9	109.397
C1	C5	H11	111.482	C1	C5	H13	111.539
N2	C1	H3	113.016	N2	C1	C4	108.406
N2	C1	C5	108.406	H3	C1	C4	108.056
H3	C1	C5	108.056	C4	C1	C5	110.925
H6	N2	H7	107.228	H8	C4	H10	108.875
H8	C4	H12	107.786	H9	C5	H11	108.875
H9	C5	H13	107.786	H10	C4	H12	107.650
H11	C5	H13	107.650

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

using model chemistry: SVWN/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
1	C	-0.173
2	N	-0.738
3	H	0.210
4	C	-0.690
5	C	-0.690
6	H	0.328
7	H	0.328
8	H	0.244
9	H	0.244
10	H	0.235
11	H	0.235
12	H	0.232
13	H	0.232

	x	y	z	Total
	0.875	1.068	0.000	1.381
CHELPG
AIM
ESP

	x	y	z
x	6.425	-0.447	0.000
y	-0.447	6.767	0.000
z	0.000	0.000	7.252

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/6-311G*

States and conformations

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