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	hartrees
Energy at 0K	-173.594951
Energy at 298.15K	-173.605316
Nuclear repulsion energy	136.533161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3380	0.56
2	A'	3057	3025	34.09
3	A'	3039	3008	29.66
4	A'	2962	2931	5.27
5	A'	2832	2803	80.71
6	A'	1579	1562	44.94
7	A'	1435	1420	10.40
8	A'	1416	1401	9.34
9	A'	1341	1327	37.37
10	A'	1314	1300	13.42
11	A'	1176	1164	7.15
12	A'	1125	1113	14.21
13	A'	978	968	1.05
14	A'	836	827	4.74
15	A'	788	780	137.23
16	A'	463	458	12.26
17	A'	351	348	0.06
18	A'	265	262	0.16
19	A"	3502	3466	0.30
20	A"	3054	3022	0.70
21	A"	3037	3006	15.58
22	A"	2959	2928	30.86
23	A"	1413	1398	0.00
24	A"	1406	1391	0.45
25	A"	1360	1346	22.57
26	A"	1311	1297	9.11
27	A"	1218	1206	0.41
28	A"	1028	1017	0.25
29	A"	929	919	0.86
30	A"	890	881	0.74
31	A"	404	399	11.02
32	A"	283	280	31.82
33	A"	216	214	5.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.224	0.000
N2	-0.909	1.031	0.000
H3	1.230	0.832	0.000
C4	0.294	-0.630	1.242
C5	0.294	-0.630	-1.242
H6	-0.936	1.637	-0.824
H7	-0.936	1.637	0.824
H8	-0.616	-1.253	1.255
H9	-0.616	-1.253	-1.255
H10	1.178	-1.286	1.278
H11	1.178	-1.286	-1.278
H12	0.295	-0.012	2.155
H13	0.295	-0.012	-2.155

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4484	1.1160	1.5076	1.5076	2.0466	2.0466	2.1410	2.1410	2.1666	2.1666	2.1678	2.1678
N2	1.4484		2.1475	2.3978	2.3978	1.0237	1.0237	2.6225	2.6225	3.3697	3.3697	2.6794	2.6794
H3	1.1160	2.1475		2.1348	2.1348	2.4527	2.4527	3.0543	3.0543	2.4744	2.4744	2.4961	2.4961
C4	1.5076	2.3978	2.1348		2.4843	3.3052	2.6130	1.1026	2.7295	1.1011	2.7499	1.1028	3.4531
C5	1.5076	2.3978	2.1348	2.4843		2.6130	3.3052	2.7295	1.1026	2.7499	1.1011	3.4531	1.1028
H6	2.0466	1.0237	2.4527	3.3052	2.6130		1.6490	3.5748	2.9395	4.1751	3.6355	3.6207	2.4500
H7	2.0466	1.0237	2.4527	2.6130	3.3052	1.6490		2.9395	3.5748	3.6355	4.1751	2.4500	3.6207
H8	2.1410	2.6225	3.0543	1.1026	2.7295	3.5748	2.9395		2.5096	1.7941	3.1037	1.7835	3.7413
H9	2.1410	2.6225	3.0543	2.7295	1.1026	2.9395	3.5748	2.5096		3.1037	1.7941	3.7413	1.7835
H10	2.1666	3.3697	2.4744	1.1011	2.7499	4.1751	3.6355	1.7941	3.1037		2.5558	1.7814	3.7668
H11	2.1666	3.3697	2.4744	2.7499	1.1011	3.6355	4.1751	3.1037	1.7941	2.5558		3.7668	1.7814
H12	2.1678	2.6794	2.4961	1.1028	3.4531	3.6207	2.4500	1.7835	3.7413	1.7814	3.7668		4.3100
H13	2.1678	2.6794	2.4961	3.4531	1.1028	2.4500	3.6207	3.7413	1.7835	3.7668	1.7814	4.3100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.594	C1	N2	H7	110.594
C1	C4	H8	109.236	C1	C4	H10	111.357
C1	C4	H12	111.354	C1	C5	H9	109.236
C1	C5	H11	111.357	C1	C5	H13	111.354
N2	C1	H3	113.106	N2	C1	C4	108.407
N2	C1	C5	108.407	H3	C1	C4	107.990
H3	C1	C5	107.990	C4	C1	C5	110.966
H6	N2	H7	107.299	H8	C4	H10	109.006
H8	C4	H12	107.934	H9	C5	H11	109.006
H9	C5	H13	107.934	H10	C4	H12	107.863
H11	C5	H13	107.863

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	-0.201
2	N	-0.451
3	H	0.141
4	C	-0.387
5	C	-0.387
6	H	0.208
7	H	0.208
8	H	0.151
9	H	0.151
10	H	0.143
11	H	0.143
12	H	0.140
13	H	0.140

	x	y	z	Total
	0.818	1.005	0.000	1.296
CHELPG
AIM
ESP

	x	y	z
x	6.523	-0.453	0.000
y	-0.453	6.895	0.000
z	0.000	0.000	7.382

<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)