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	hartrees
Energy at 0K	-211.148988
Energy at 298.15K	-211.160413
Nuclear repulsion energy	187.966790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3370	0.20
2	A'	3267	2959	77.48
3	A'	3235	2930	21.45
4	A'	3212	2908	39.49
5	A'	3193	2891	41.25
6	A'	3128	2833	92.26
7	A'	1792	1622	26.98
8	A'	1630	1476	2.93
9	A'	1597	1446	1.68
10	A'	1514	1371	29.71
11	A'	1423	1288	1.20
12	A'	1344	1217	2.73
13	A'	1262	1143	13.89
14	A'	1160	1051	9.04
15	A'	1024	927	10.61
16	A'	958	868	61.84
17	A'	947	857	44.89
18	A'	880	797	28.68
19	A'	720	652	0.56
20	A'	428	388	4.95
21	A'	163	148	1.27
22	A"	3803	3443	1.03
23	A"	3240	2934	16.04
24	A"	3189	2887	86.85
25	A"	1593	1443	0.65
26	A"	1472	1333	1.25
27	A"	1392	1260	0.16
28	A"	1379	1249	0.47
29	A"	1327	1201	0.40
30	A"	1272	1151	0.37
31	A"	1111	1006	0.24
32	A"	1001	906	0.29
33	A"	984	891	2.32
34	A"	822	744	0.43
35	A"	417	378	9.00
36	A"	302	273	29.88

Atom	x (Å)	y (Å)	z (Å)
N1	-1.415	0.896	0.000
H2	-1.725	1.403	0.805
H3	-1.725	1.403	-0.805
C4	0.501	-0.230	-1.077
H5	-0.150	-0.360	-1.934
H6	1.503	-0.003	-1.426
C7	0.501	-0.230	1.077
H8	-0.150	-0.360	1.934
H9	1.503	-0.003	1.426
C10	0.031	0.773	0.000
H11	0.542	1.736	0.000
C12	0.501	-1.339	0.000
H13	1.334	-2.032	0.000
H14	-0.424	-1.901	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0003	1.0003	2.4695	2.6305	3.3699	2.4695	2.6305	3.3699	1.4517	2.1299	2.9435	4.0160	2.9667
H2	1.0003		1.6097	3.3405	3.6179	4.1675	2.7736	2.6197	3.5746	2.0314	2.4279	3.6216	4.6689	3.6402
H3	1.0003	1.6097		2.7736	2.6197	3.5746	3.3405	3.6179	4.1675	2.0314	2.4279	3.6216	4.6689	3.6402
C4	2.4695	3.3405	2.7736		1.0841	1.0852	2.1535	3.0831	2.7055	1.5450	2.2422	1.5455	2.2583	2.1922
H5	2.6305	3.6179	2.6197	1.0841		1.7654	3.0831	3.8683	3.7616	2.2491	2.9348	2.2632	2.9559	2.4879
H6	3.3699	4.1675	3.5746	1.0852	1.7654		2.7055	3.7616	2.8521	2.1913	2.4457	2.1960	2.4859	3.0576
C7	2.4695	2.7736	3.3405	2.1535	3.0831	2.7055		1.0841	1.0852	1.5450	2.2422	1.5455	2.2583	2.1922
H8	2.6305	2.6197	3.6179	3.0831	3.8683	3.7616	1.0841		1.7654	2.2491	2.9348	2.2632	2.9559	2.4879
H9	3.3699	3.5746	4.1675	2.7055	3.7616	2.8521	1.0852	1.7654		2.1913	2.4457	2.1960	2.4859	3.0576
C10	1.4517	2.0314	2.0314	1.5450	2.2491	2.1913	1.5450	2.2491	2.1913		1.0897	2.1638	3.0931	2.7126
H11	2.1299	2.4279	2.4279	2.2422	2.9348	2.4457	2.2422	2.9348	2.4457	1.0897		3.0752	3.8505	3.7629
C12	2.9435	3.6216	3.6216	1.5455	2.2632	2.1960	1.5455	2.2632	2.1960	2.1638	3.0752		1.0837	1.0823
H13	4.0160	4.6689	4.6689	2.2583	2.9559	2.4859	2.2583	2.9559	2.4859	3.0931	3.8505	1.0837		1.7629
H14	2.9667	3.6402	3.6402	2.1922	2.4879	3.0576	2.1922	2.4879	3.0576	2.7126	3.7629	1.0823	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.948	N1	C10	C7	110.948
N1	C10	H11	113.104	H2	N1	H3	107.142
H2	N1	C10	110.530	H3	N1	C10	110.530
C4	C10	C7	88.361	C4	C10	H11	115.564
C4	C12	C7	88.329	C4	C12	H13	117.315
C4	C12	H14	111.864	H5	C4	H6	108.943
H5	C4	C10	116.527	H5	C4	C12	117.714
H6	C4	C10	111.649	H6	C4	C12	111.994
C7	C10	H11	115.564	C7	C12	H13	117.315
C7	C12	H14	111.864	H8	C7	H9	108.943
H8	C7	C10	116.527	H8	C7	C12	117.714
H9	C7	C10	111.649	H9	C7	C12	111.994
C10	C4	C12	88.877	C10	C7	C12	88.877
H13	C12	H14	108.955

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/6-31G(2df,p)

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	-0.639
2	H	0.258
3	H	0.258
4	C	-0.249
5	H	0.122
6	H	0.122
7	C	-0.249
8	H	0.122
9	H	0.122
10	C	0.023
11	H	0.091
12	C	-0.242
13	H	0.119
14	H	0.141

	x	y	z	Total
	0.290	1.192	0.000	1.227
CHELPG
AIM
ESP

	x	y	z
x	6.944	-0.521	0.000
y	-0.521	6.846	0.000
z	0.000	0.000	7.000

<r²>	113.275
(<r²>)^1/2	10.643

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)