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	hartrees
Energy at 0K	-36.750799
Energy at 298.15K	-36.762137
Nuclear repulsion energy	104.635406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3715	3390	1.50
2	A'	3269	2983	123.03
3	A'	3236	2953	22.69
4	A'	3200	2920	44.25
5	A'	3176	2898	72.75
6	A'	3121	2848	102.57
7	A'	1832	1672	43.78
8	A'	1638	1495	3.69
9	A'	1613	1472	1.87
10	A'	1508	1376	30.65
11	A'	1425	1300	3.00
12	A'	1345	1228	1.37
13	A'	1269	1158	8.70
14	A'	1161	1060	10.94
15	A'	1018	929	0.41
16	A'	951	868	2.71
17	A'	899	820	18.18
18	A'	774	706	124.51
19	A'	726	662	107.49
20	A'	434	396	6.42
21	A'	139	127	1.22
22	A"	3839	3503	0.21
23	A"	3242	2959	20.01
24	A"	3174	2896	110.31
25	A"	1608	1467	3.72
26	A"	1462	1334	2.42
27	A"	1410	1287	0.06
28	A"	1385	1264	1.52
29	A"	1321	1206	0.99
30	A"	1272	1160	0.00
31	A"	1112	1015	0.01
32	A"	1020	931	1.35
33	A"	985	899	3.56
34	A"	841	768	0.03
35	A"	416	379	7.74
36	A"	262	239	40.99

Atom	x (Å)	y (Å)	z (Å)
N1	-1.375	0.991	0.000
H2	-1.732	1.422	0.829
H3	-1.732	1.422	-0.829
C4	0.492	-0.266	-1.092
H5	-0.199	-0.384	-1.918
H6	1.485	-0.068	-1.486
C7	0.492	-0.266	1.092
H8	-0.199	-0.384	1.918
H9	1.485	-0.068	1.486
C10	0.077	0.769	0.000
H11	0.643	1.701	0.000
C12	0.492	-1.382	0.000
H13	1.334	-2.067	0.000
H14	-0.426	-1.955	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0004	1.0004	2.5018	2.6371	3.3925	2.5018	2.6371	3.3925	1.4689	2.1393	3.0200	4.0853	3.0953
H2	1.0004		1.6583	3.3894	3.6279	4.2344	2.8048	2.6076	3.6059	2.0947	2.5315	3.6744	4.7182	3.7147
H3	1.0004	1.6583		2.8048	2.6076	3.6059	3.3894	3.6279	4.2344	2.0947	2.5315	3.6744	4.7182	3.7147
C4	2.5018	3.3894	2.8048		1.0843	1.0860	2.1833	3.0907	2.7689	1.5606	2.2542	1.5615	2.2681	2.2113
H5	2.6371	3.6279	2.6076	1.0843		1.7672	3.0907	3.8368	3.8110	2.2553	2.9557	2.2704	2.9769	2.4900
H6	3.3925	4.2344	3.6059	1.0860	1.7672		2.7689	3.8110	2.9714	2.2115	2.4586	2.2179	2.4953	3.0694
C7	2.5018	2.8048	3.3894	2.1833	3.0907	2.7689		1.0843	1.0860	1.5606	2.2542	1.5615	2.2681	2.2113
H8	2.6371	2.6076	3.6279	3.0907	3.8368	3.8110	1.0843		1.7672	2.2553	2.9557	2.2704	2.9769	2.4900
H9	3.3925	3.6059	4.2344	2.7689	3.8110	2.9714	1.0860	1.7672		2.2115	2.4586	2.2179	2.4953	3.0694
C10	1.4689	2.0947	2.0947	1.5606	2.2553	2.2115	1.5606	2.2553	2.2115		1.0901	2.1911	3.1022	2.7705
H11	2.1393	2.5315	2.5315	2.2542	2.9557	2.4586	2.2542	2.9557	2.4586	1.0901		3.0867	3.8306	3.8091
C12	3.0200	3.6744	3.6744	1.5615	2.2704	2.2179	1.5615	2.2704	2.2179	2.1911	3.0867		1.0847	1.0827
H13	4.0853	4.7182	4.7182	2.2681	2.9769	2.4953	2.2681	2.9769	2.4953	3.1022	3.8306	1.0847		1.7634
H14	3.0953	3.7147	3.7147	2.2113	2.4900	3.0694	2.2113	2.4900	3.0694	2.7705	3.8091	1.0827	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	111.305	N1	C10	C7	111.305
N1	C10	H11	112.598	H2	N1	H3	111.951
H2	N1	C10	114.718	H3	N1	C10	114.718
C4	C10	C7	88.778	C4	C10	H11	115.372
C4	C12	C7	88.712	C4	C12	H13	116.838
C4	C12	H14	112.233	H5	C4	H6	109.027
H5	C4	C10	115.848	H5	C4	C12	117.068
H6	C4	C10	112.111	H6	C4	C12	112.569
C7	C10	H11	115.372	C7	C12	H13	116.838
C7	C12	H14	112.233	H8	C7	H9	109.027
H8	C7	C10	115.848	H8	C7	C12	117.068
H9	C7	C10	112.111	H9	C7	C12	112.569
C10	C4	C12	89.148	C10	C7	C12	89.148
H13	C12	H14	108.894

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/CEP-121G

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	-0.759
2	H	0.285
3	H	0.285
4	C	-0.310
5	H	0.136
6	H	0.123
7	C	-0.310
8	H	0.136
9	H	0.123
10	C	0.129
11	H	0.125
12	C	-0.238
13	H	0.134
14	H	0.139

	x	y	z	Total
	0.366	1.196	0.000	1.251
CHELPG
AIM
ESP

	x	y	z
x	7.121	-0.427	0.000
y	-0.427	7.105	0.000
z	0.000	0.000	7.308

<r²>	98.702
(<r²>)^1/2	9.935

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)