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	hartrees
Energy at 0K	-174.485665
Energy at 298.15K	-174.496179
HF Energy	-174.485665
Nuclear repulsion energy	135.739272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3529	3376	1.06
2	A'	3128	2992	61.67
3	A'	3111	2976	51.45
4	A'	3039	2907	6.07
5	A'	2951	2823	79.61
6	A'	1666	1593	38.43
7	A'	1516	1450	9.69
8	A'	1493	1428	4.08
9	A'	1420	1359	21.32
10	A'	1387	1327	16.12
11	A'	1216	1163	7.69
12	A'	1175	1124	18.06
13	A'	1009	965	2.93
14	A'	869	831	129.63
15	A'	835	799	0.89
16	A'	487	466	11.21
17	A'	376	360	0.10
18	A'	264	252	0.27
19	A"	3610	3453	0.04
20	A"	3123	2987	0.00
21	A"	3108	2973	23.25
22	A"	3035	2903	44.25
23	A"	1493	1428	0.08
24	A"	1486	1422	0.34
25	A"	1432	1370	20.20
26	A"	1388	1328	1.08
27	A"	1280	1224	0.00
28	A"	1051	1006	1.29
29	A"	973	930	0.19
30	A"	939	898	0.29
31	A"	418	400	7.00
32	A"	288	275	38.59
33	A"	206	197	5.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.292	0.220	0.000
N2	-0.910	1.056	0.000
H3	1.219	0.818	0.000
C4	0.292	-0.641	1.258
C5	0.292	-0.641	-1.258
H6	-0.922	1.658	-0.815
H7	-0.922	1.658	0.815
H8	-0.606	-1.265	1.282
H9	-0.606	-1.265	-1.282
H10	1.173	-1.288	1.289
H11	1.173	-1.288	-1.289
H12	0.300	-0.020	2.159
H13	0.300	-0.020	-2.159

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4638	1.1031	1.5247	1.5247	2.0509	2.0509	2.1578	2.1578	2.1707	2.1707	2.1726	2.1726
N2	1.4638		2.1421	2.4304	2.4304	1.0135	1.0135	2.6687	2.6687	3.3901	3.3901	2.6987	2.6987
H3	1.1031	2.1421		2.1382	2.1382	2.4405	2.4405	3.0518	3.0518	2.4696	2.4696	2.4922	2.4922
C4	1.5247	2.4304	2.1382		2.5160	3.3255	2.6375	1.0934	2.7654	1.0933	2.7714	1.0946	3.4732
C5	1.5247	2.4304	2.1382	2.5160		2.6375	3.3255	2.7654	1.0934	2.7714	1.0933	3.4732	1.0946
H6	2.0509	1.0135	2.4405	3.3255	2.6375		1.6307	3.6113	2.9765	4.1828	3.6459	3.6273	2.4728
H7	2.0509	1.0135	2.4405	2.6375	3.3255	1.6307		2.9765	3.6113	3.6459	4.1828	2.4728	3.6273
H8	2.1578	2.6687	3.0518	1.0934	2.7654	3.6113	2.9765		2.5644	1.7790	3.1264	1.7715	3.7700
H9	2.1578	2.6687	3.0518	2.7654	1.0934	2.9765	3.6113	2.5644		3.1264	1.7790	3.7700	1.7715
H10	2.1707	3.3901	2.4696	1.0933	2.7714	4.1828	3.6459	1.7790	3.1264		2.5776	1.7686	3.7762
H11	2.1707	3.3901	2.4696	2.7714	1.0933	3.6459	4.1828	3.1264	1.7790	2.5776		3.7762	1.7686
H12	2.1726	2.6987	2.4922	1.0946	3.4732	3.6273	2.4728	1.7715	3.7700	1.7686	3.7762		4.3185
H13	2.1726	2.6987	2.4922	3.4732	1.0946	2.4728	3.6273	3.7700	1.7715	3.7762	1.7686	4.3185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.439	C1	N2	H7	110.439
C1	C4	H8	109.912	C1	C4	H10	110.945
C1	C4	H12	111.022	C1	C5	H9	109.912
C1	C5	H11	110.945	C1	C5	H13	111.022
N2	C1	H3	112.376	N2	C1	C4	108.814
N2	C1	C5	108.814	H3	C1	C4	107.836
H3	C1	C5	107.836	C4	C1	C5	111.187
H6	N2	H7	107.118	H8	C4	H10	108.884
H8	C4	H12	108.120	H9	C5	H11	108.884
H9	C5	H13	108.120	H10	C4	H12	107.873
H11	C5	H13	107.873

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

using model chemistry: wB97X-D/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	-0.115
2	N	-0.457
3	H	0.103
4	C	-0.298
5	C	-0.298
6	H	0.192
7	H	0.192
8	H	0.122
9	H	0.122
10	H	0.112
11	H	0.112
12	H	0.107
13	H	0.107

	x	y	z	Total
	0.961	0.921	0.000	1.331
CHELPG
AIM
ESP

	x	y	z
x	6.117	-0.414	0.000
y	-0.414	6.503	0.000
z	0.000	0.000	6.965

<r²>	93.036
(<r²>)^1/2	9.646

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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