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	hartrees
Energy at 0K	-212.499700
Energy at 298.15K	-212.510834
Nuclear repulsion energy	187.405190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3359	2.12
2	A'	3157	3026	47.55
3	A'	3127	2997	22.37
4	A'	3091	2963	36.20
5	A'	3075	2947	17.96
6	A'	2975	2851	101.23
7	A'	1661	1592	21.28
8	A'	1510	1447	4.60
9	A'	1481	1419	2.33
10	A'	1395	1337	25.67
11	A'	1300	1246	4.62
12	A'	1250	1198	1.48
13	A'	1169	1120	8.07
14	A'	1095	1049	7.63
15	A'	979	938	6.02
16	A'	898	860	2.89
17	A'	873	836	85.40
18	A'	824	789	54.34
19	A'	666	639	1.29
20	A'	404	387	5.30
21	A'	163	156	1.58
22	A"	3595	3445	0.01
23	A"	3131	3001	9.16
24	A"	3070	2943	71.66
25	A"	1474	1412	1.56
26	A"	1354	1298	0.21
27	A"	1280	1227	0.71
28	A"	1265	1212	0.16
29	A"	1231	1180	0.61
30	A"	1174	1125	0.73
31	A"	1039	996	0.20
32	A"	960	920	0.67
33	A"	932	893	1.94
34	A"	772	740	1.06
35	A"	392	375	11.08
36	A"	285	273	33.12

Atom	x (Å)	y (Å)	z (Å)
N1	-1.434	0.856	0.000
H2	-1.750	1.377	0.814
H3	-1.750	1.377	-0.814
C4	0.511	-0.220	-1.077
H5	-0.135	-0.353	-1.950
H6	1.523	0.023	-1.416
C7	0.511	-0.220	1.077
H8	-0.135	-0.353	1.950
H9	1.523	0.023	1.416
C10	0.022	0.780	0.000
H11	0.524	1.763	0.000
C12	0.511	-1.329	0.000
H13	1.344	-2.037	0.000
H14	-0.430	-1.883	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0168	1.0168	2.4694	2.6367	3.3824	2.4694	2.6367	3.3824	1.4575	2.1574	2.9252	4.0113	2.9175
H2	1.0168		1.6284	3.3521	3.6390	4.1857	2.7804	2.6252	3.5930	2.0394	2.4465	3.6189	4.6792	3.6100
H3	1.0168	1.6284		2.7804	2.6252	3.5930	3.3521	3.6390	4.1857	2.0394	2.4465	3.6189	4.6792	3.6100
C4	2.4694	3.3521	2.7804		1.0945	1.0948	2.1530	3.0976	2.7008	1.5487	2.2559	1.5457	2.2708	2.1934
H5	2.6367	3.6390	2.6252	1.0945		1.7823	3.0976	3.9001	3.7707	2.2611	2.9519	2.2742	2.9711	2.4960
H6	3.3824	4.1857	3.5930	1.0948	1.7823		2.7008	3.7707	2.8312	2.1980	2.4552	2.2037	2.5059	3.0745
C7	2.4694	2.7804	3.3521	2.1530	3.0976	2.7008		1.0945	1.0948	1.5487	2.2559	1.5457	2.2708	2.1934
H8	2.6367	2.6252	3.6390	3.0976	3.9001	3.7707	1.0945		1.7823	2.2611	2.9519	2.2742	2.9711	2.4960
H9	3.3824	3.5930	4.1857	2.7008	3.7707	2.8312	1.0948	1.7823		2.1980	2.4552	2.2037	2.5059	3.0745
C10	1.4575	2.0394	2.0394	1.5487	2.2611	2.1980	1.5487	2.2611	2.1980		1.1032	2.1653	3.1125	2.7016
H11	2.1574	2.4465	2.4465	2.2559	2.9519	2.4552	2.2559	2.9519	2.4552	1.1032		3.0916	3.8873	3.7686
C12	2.9252	3.6189	3.6189	1.5457	2.2742	2.2037	1.5457	2.2742	2.2037	2.1653	3.0916		1.0938	1.0921
H13	4.0113	4.6792	4.6792	2.2708	2.9711	2.5059	2.2708	2.9711	2.5059	3.1125	3.8873	1.0938		1.7814
H14	2.9175	3.6100	3.6100	2.1934	2.4960	3.0745	2.1934	2.4960	3.0745	2.7016	3.7686	1.0921	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.424	N1	C10	C7	110.424
N1	C10	H11	114.096	H2	N1	H3	106.401
H2	N1	C10	109.738	H3	N1	C10	109.738
C4	C10	C7	88.072	C4	C10	H11	115.550
C4	C12	C7	88.288	C4	C12	H13	117.684
C4	C12	H14	111.352	H5	C4	H6	108.993
H5	C4	C10	116.561	H5	C4	C12	117.929
H6	C4	C10	111.344	H6	C4	C12	112.015
C7	C10	H11	115.550	C7	C12	H13	117.684
C7	C12	H14	111.352	H8	C7	H9	108.993
H8	C7	C10	116.561	H8	C7	C12	117.929
H9	C7	C10	111.344	H9	C7	C12	112.015
C10	C4	C12	88.817	C10	C7	C12	88.817
H13	C12	H14	109.162

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B3PW91/6-31G**

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	-0.624
2	H	0.253
3	H	0.253
4	C	-0.227
5	H	0.120
6	H	0.119
7	C	-0.227
8	H	0.120
9	H	0.119
10	C	-0.022
11	H	0.094
12	C	-0.239
13	H	0.117
14	H	0.144

	x	y	z	Total
	0.205	1.269	0.000	1.285
CHELPG
AIM
ESP

<r²>	113.200
(<r²>)^1/2	10.640

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)