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	hartrees
Energy at 0K	-212.379732
Energy at 298.15K	-212.392789
Nuclear repulsion energy	194.473164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3802	3454	0.18
2	A	3729	3387	0.11
3	A	3233	2937	87.41
4	A	3224	2929	54.78
5	A	3215	2921	78.59
6	A	3213	2919	36.61
7	A	3190	2898	7.58
8	A	3161	2872	24.07
9	A	3155	2866	50.45
10	A	3153	2864	32.40
11	A	3071	2790	78.21
12	A	1802	1637	47.01
13	A	1627	1478	7.10
14	A	1617	1469	0.88
15	A	1616	1468	6.64
16	A	1610	1462	2.80
17	A	1600	1453	0.16
18	A	1559	1416	4.84
19	A	1534	1394	10.20
20	A	1530	1390	8.41
21	A	1508	1370	11.40
22	A	1453	1320	3.94
23	A	1406	1277	1.54
24	A	1358	1234	0.98
25	A	1288	1170	2.51
26	A	1263	1147	16.96
27	A	1137	1033	4.60
28	A	1097	996	3.62
29	A	1092	992	2.90
30	A	1059	962	4.25
31	A	998	907	5.91
32	A	950	863	120.51
33	A	868	788	6.71
34	A	826	750	0.38
35	A	513	466	7.11
36	A	484	440	5.35
37	A	402	365	0.49
38	A	312	283	33.59
39	A	279	253	0.32
40	A	249	226	0.56
41	A	240	218	20.86
42	A	112	102	1.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.582	1.375	-0.230
H2	-0.180	1.946	0.073
H3	1.419	1.823	0.085
C4	1.769	-0.729	-0.006
H5	1.911	-0.782	-1.081
H6	2.636	-0.231	0.423
H7	1.739	-1.739	0.391
C8	0.486	0.027	0.324
H9	0.380	0.047	1.414
C10	-0.737	-0.693	-0.249
H11	-0.627	-0.751	-1.329
H12	-0.738	-1.713	0.129
C13	-2.076	-0.038	0.093
H14	-2.902	-0.643	-0.269
H15	-2.173	0.942	-0.364
H16	-2.198	0.075	1.168

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		0.9996	1.0005	2.4258	2.6720	2.6872	3.3795	1.4603	2.1227	2.4522	2.6806	3.3773	3.0275	4.0262	2.7918	3.3721
H2	0.9996		1.6044	3.3107	3.6253	3.5762	4.1670	2.0465	2.3910	2.7153	3.0716	3.7014	2.7440	3.7717	2.2733	2.9611
H3	1.0005	1.6044		2.5775	2.8957	2.4109	3.5897	2.0381	2.4496	3.3299	3.5789	4.1426	3.9599	4.9879	3.7256	4.1607
C4	2.4258	3.3107	2.5775		1.0858	1.0875	1.0859	1.5254	2.1324	2.5181	2.7367	2.6971	3.9078	4.6790	4.2963	4.2144
H5	2.6720	3.6253	2.8957	1.0858		1.7580	1.7646	2.1584	3.0421	2.7770	2.5496	3.0578	4.2220	4.8825	4.4900	4.7617
H6	2.6872	3.5762	2.4109	1.0875	1.7580		1.7550	2.1671	2.4791	3.4695	3.7389	3.6968	4.7269	5.5955	5.0114	4.9000
H7	3.3795	4.1670	3.5897	1.0859	1.7646	1.7550		2.1666	2.4665	2.7631	3.0870	2.4913	4.1875	4.8137	4.8021	4.4038
C8	1.4603	2.0465	2.0381	1.5254	2.1584	2.1671	2.1666		1.0949	1.5302	2.1389	2.1366	2.5732	3.5040	2.8948	2.8138
H9	2.1227	2.3910	2.4496	2.1324	3.0421	2.4791	2.4665	1.0949		2.1350	3.0284	2.4493	2.7900	3.7521	3.2371	2.5897
C10	2.4522	2.7153	3.3299	2.5181	2.7770	3.4695	2.7631	1.5302	2.1350		1.0873	1.0881	1.5289	2.1654	2.1786	2.1748
H11	2.6806	3.0716	3.5789	2.7367	2.5496	3.7389	3.0870	2.1389	3.0284	1.0873		1.7501	2.1516	2.5120	2.4873	3.0634
H12	3.3773	3.7014	4.1426	2.6971	3.0578	3.6968	2.4913	2.1366	2.4493	1.0881	1.7501		2.1436	2.4458	3.0576	2.5311
C13	3.0275	2.7440	3.9599	3.9078	4.2220	4.7269	4.1875	2.5732	2.7900	1.5289	2.1516	2.1436		1.0858	1.0858	1.0879
H14	4.0262	3.7717	4.9879	4.6790	4.8825	5.5955	4.8137	3.5040	3.7521	2.1654	2.5120	2.4458	1.0858		1.7475	1.7540
H15	2.7918	2.2733	3.7256	4.2963	4.4900	5.0114	4.8021	2.8948	3.2371	2.1786	2.4873	3.0576	1.0858	1.7475		1.7605
H16	3.3721	2.9611	4.1607	4.2144	4.7617	4.9000	4.4038	2.8138	2.5897	2.1748	3.0634	2.5311	1.0879	1.7540	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.659	N1	C8	H9	111.546
N1	C8	C10	110.146	H2	N1	H3	106.670
H2	N1	C8	111.217	H3	N1	C8	110.431
C4	C8	H9	107.807	C4	C8	C10	110.991
H5	C4	H6	107.983	H5	C4	H7	108.688
H5	C4	C8	110.371	H6	C4	H7	107.707
H6	C4	C8	110.966	H7	C4	C8	111.018
C8	C10	H11	108.418	C8	C10	H12	108.191
C8	C10	C13	114.530	H9	C8	C10	107.679
C10	C13	H14	110.676	C10	C13	H15	111.740
C10	C13	H16	111.310	H11	C10	H12	107.127
H11	C10	C13	109.496	H12	C10	C13	108.824
H14	C13	H15	107.159	H14	C13	H16	107.593
H15	C13	H16	108.170

All results from a given calculation for CH₃C(NH₂)HCH₂CH₃ (2-Butanamine)

using model chemistry: HF/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	N	-0.486
2	H	0.185
3	H	0.183
4	C	-0.213
5	H	0.098
6	H	0.081
7	H	0.086
8	C	-0.041
9	H	0.072
10	C	-0.163
11	H	0.097
12	H	0.084
13	C	-0.251
14	H	0.095
15	H	0.090
16	H	0.083

	x	y	z	Total
	0.001	0.154	1.262	1.271
CHELPG
AIM
ESP

	x	y	z
x	8.604	-0.043	0.019
y	-0.043	7.659	0.013
z	0.019	0.013	6.880

<r²>	150.840
(<r²>)^1/2	12.282

All results from a given calculation for CH3C(NH2)HCH2CH3 (2-Butanamine)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for CH₃C(NH₂)HCH₂CH₃ (2-Butanamine)