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	hartrees
Energy at 0K	-212.484674
Energy at 298.15K	-212.495602
Nuclear repulsion energy	185.077255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3333	12.42
2	A'	3041	3034	79.97
3	A'	3009	3002	25.40
4	A'	2986	2978	46.75
5	A'	2971	2964	23.62
6	A'	2863	2856	121.05
7	A'	1664	1659	26.12
8	A'	1477	1474	3.36
9	A'	1454	1450	1.87
10	A'	1339	1336	20.06
11	A'	1250	1247	5.58
12	A'	1211	1208	0.37
13	A'	1121	1118	6.43
14	A'	1050	1048	9.45
15	A'	933	931	13.31
16	A'	857	855	6.99
17	A'	834	831	113.38
18	A'	793	791	9.16
19	A'	663	661	0.86
20	A'	396	395	5.17
21	A'	129	128	1.29
22	A"	3414	3406	3.71
23	A"	3016	3008	10.08
24	A"	2967	2960	96.48
25	A"	1448	1444	2.83
26	A"	1311	1308	0.07
27	A"	1244	1240	0.30
28	A"	1229	1226	0.14
29	A"	1195	1192	0.41
30	A"	1143	1140	1.31
31	A"	1014	1011	0.36
32	A"	906	904	0.49
33	A"	884	882	2.00
34	A"	749	747	0.30
35	A"	381	380	10.14
36	A"	267	267	36.82

Atom	x (Å)	y (Å)	z (Å)
N1	-1.405	0.969	0.000
H2	-1.675	1.524	0.820
H3	-1.675	1.524	-0.820
C4	0.486	-0.258	-1.094
H5	-0.208	-0.379	-1.938
H6	1.492	-0.052	-1.487
C7	0.486	-0.258	1.094
H8	-0.208	-0.379	1.938
H9	1.492	-0.052	1.487
C10	0.061	0.780	0.000
H11	0.634	1.728	0.000
C12	0.486	-1.377	0.000
H13	1.332	-2.078	0.000
H14	-0.450	-1.949	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0261	1.0261	2.5057	2.6472	3.4131	2.5057	2.6472	3.4131	1.4784	2.1767	3.0129	4.0958	3.0701
H2	1.0261		1.6395	3.3921	3.6580	4.2231	2.8141	2.6504	3.6000	2.0587	2.4591	3.7087	4.7631	3.7726
H3	1.0261	1.6395		2.8141	2.6504	3.6000	3.3921	3.6580	4.2231	2.0587	2.4591	3.7087	4.7631	3.7726
C4	2.5057	3.3921	2.8141		1.0996	1.1000	2.1882	3.1133	2.7777	1.5670	2.2726	1.5647	2.2859	2.2208
H5	2.6472	3.6580	2.6504	1.0996		1.7897	3.1133	3.8769	3.8379	2.2746	2.9848	2.2879	3.0026	2.5061
H6	3.4131	4.2231	3.6000	1.1000	1.7897		2.7777	3.8379	2.9731	2.2252	2.4730	2.2311	2.5180	3.0954
C7	2.5057	2.8141	3.3921	2.1882	3.1133	2.7777		1.0996	1.1000	1.5670	2.2726	1.5647	2.2859	2.2208
H8	2.6472	2.6504	3.6580	3.1133	3.8769	3.8379	1.0996		1.7897	2.2746	2.9848	2.2879	3.0026	2.5061
H9	3.4131	3.6000	4.2231	2.7777	3.8379	2.9731	1.1000	1.7897		2.2252	2.4730	2.2311	2.5180	3.0954
C10	1.4784	2.0587	2.0587	1.5670	2.2746	2.2252	1.5670	2.2746	2.2252		1.1082	2.1983	3.1280	2.7765
H11	2.1767	2.4591	2.4591	2.2726	2.9848	2.4730	2.2726	2.9848	2.4730	1.1082		3.1086	3.8697	3.8339
C12	3.0129	3.7087	3.7087	1.5647	2.2879	2.2311	1.5647	2.2879	2.2311	2.1983	3.1086		1.0990	1.0970
H13	4.0958	4.7631	4.7631	2.2859	3.0026	2.5180	2.2859	3.0026	2.5180	3.1280	3.8697	1.0990		1.7867
H14	3.0701	3.7726	3.7726	2.2208	2.5061	3.0954	2.2208	2.5061	3.0954	2.7765	3.8339	1.0970	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.696	N1	C10	C7	110.696
N1	C10	H11	113.840	H2	N1	H3	106.053
H2	N1	C10	109.241	H3	N1	C10	109.241
C4	C10	C7	88.569	C4	C10	H11	115.252
C4	C12	C7	88.728	C4	C12	H13	117.147
C4	C12	H14	111.892	H5	C4	H6	108.913
H5	C4	C10	115.981	H5	C4	C12	117.274
H6	C4	C10	111.909	H6	C4	C12	112.541
C7	C10	H11	115.252	C7	C12	H13	117.147
C7	C12	H14	111.892	H8	C7	H9	108.913
H8	C7	C10	115.981	H8	C7	C12	117.274
H9	C7	C10	111.909	H9	C7	C12	112.541
C10	C4	C12	89.168	C10	C7	C12	89.168
H13	C12	H14	108.904

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: BLYP/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	-0.719
2	H	0.296
3	H	0.296
4	C	-0.371
5	H	0.188
6	H	0.185
7	C	-0.371
8	H	0.188
9	H	0.185
10	C	-0.068
11	H	0.171
12	C	-0.364
13	H	0.188
14	H	0.199

	x	y	z	Total
	0.331	1.282	0.000	1.324
CHELPG
AIM
ESP

<r²>	116.889
(<r²>)^1/2	10.812

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)