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	hartrees
Energy at 0K	-212.317992
Energy at 298.15K	-212.329173
Nuclear repulsion energy	187.799083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3499	3328	2.07
2	A'	3175	3020	45.97
3	A'	3142	2988	24.24
4	A'	3110	2958	35.79
5	A'	3092	2941	17.36
6	A'	2994	2847	101.79
7	A'	1697	1614	23.82
8	A'	1529	1454	4.67
9	A'	1500	1426	2.53
10	A'	1409	1340	25.28
11	A'	1314	1250	5.25
12	A'	1262	1200	1.74
13	A'	1183	1125	8.85
14	A'	1109	1054	7.90
15	A'	992	944	7.90
16	A'	909	864	4.96
17	A'	894	850	97.35
18	A'	837	796	40.37
19	A'	672	639	1.17
20	A'	407	387	5.16
21	A'	172	164	1.67
22	A"	3590	3415	0.02
23	A"	3147	2993	9.32
24	A"	3088	2937	70.30
25	A"	1492	1419	1.80
26	A"	1372	1305	0.16
27	A"	1294	1231	0.85
28	A"	1276	1214	0.11
29	A"	1244	1183	0.52
30	A"	1182	1124	0.85
31	A"	1048	997	0.25
32	A"	972	924	0.75
33	A"	944	898	2.00
34	A"	781	742	1.10
35	A"	395	376	12.76
36	A"	290	276	33.66

Atom	x (Å)	y (Å)	z (Å)
N1	-1.353	0.981	0.000
H2	-1.588	1.582	0.788
H3	-1.588	1.582	-0.788
C4	0.458	-0.267	-1.089
H5	-0.306	-0.361	-1.863
H6	1.455	-0.097	-1.497
C7	0.458	-0.267	1.089
H8	-0.306	-0.361	1.863
H9	1.455	-0.097	1.497
C10	0.092	0.760	0.000
H11	0.685	1.689	0.000
C12	0.458	-1.369	0.000
H13	1.336	-2.019	0.000
H14	-0.473	-1.933	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0180	1.0180	2.4539	2.5237	3.3597	2.4539	2.5237	3.3597	1.4617	2.1572	2.9668	4.0286	3.0438
H2	1.0180		1.5754	3.3351	3.5277	4.1589	2.7735	2.5641	3.5468	2.0292	2.4078	3.6757	4.7045	3.7701
H3	1.0180	1.5754		2.7735	2.5641	3.5468	3.3351	3.5277	4.1589	2.0292	2.4078	3.6757	4.7045	3.7701
C4	2.4539	3.3351	2.7735		1.0917	1.0907	2.1774	3.0504	2.7765	1.5405	2.2495	1.5491	2.2420	2.1974
H5	2.5237	3.5277	2.5641	1.0917		1.8178	3.0504	3.7259	3.8026	2.2104	2.9419	2.2515	2.9855	2.4430
H6	3.3597	4.1589	3.5468	1.0907	1.8178		2.7765	3.8026	2.9941	2.1984	2.4541	2.2029	2.4394	3.0546
C7	2.4539	2.7735	3.3351	2.1774	3.0504	2.7765		1.0917	1.0907	1.5405	2.2495	1.5491	2.2420	2.1974
H8	2.5237	2.5641	3.5277	3.0504	3.7259	3.8026	1.0917		1.8178	2.2104	2.9419	2.2515	2.9855	2.4430
H9	3.3597	3.5468	4.1589	2.7765	3.8026	2.9941	1.0907	1.8178		2.1984	2.4541	2.2029	2.4394	3.0546
C10	1.4617	2.0292	2.0292	1.5405	2.2104	2.1984	1.5405	2.2104	2.1984		1.1019	2.1600	3.0447	2.7514
H11	2.1572	2.4078	2.4078	2.2495	2.9419	2.4541	2.2495	2.9419	2.4541	1.1019		3.0659	3.7646	3.8022
C12	2.9668	3.6757	3.6757	1.5491	2.2515	2.2029	1.5491	2.2515	2.2029	2.1600	3.0659		1.0923	1.0888
H13	4.0286	4.7045	4.7045	2.2420	2.9855	2.4394	2.2420	2.9855	2.4394	3.0447	3.7646	1.0923		1.8109
H14	3.0438	3.7701	3.7701	2.1974	2.4430	3.0546	2.1974	2.4430	3.0546	2.7514	3.8022	1.0888	1.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	109.617	N1	C10	C7	109.617
N1	C10	H11	113.849	H2	N1	H3	101.393
H2	N1	C10	108.505	H3	N1	C10	108.505
C4	C10	C7	89.935	C4	C10	H11	115.712
C4	C12	C7	89.300	C4	C12	H13	115.066
C4	C12	H14	111.623	H5	C4	H6	112.799
H5	C4	C10	113.122	H5	C4	C12	115.902
H6	C4	C10	112.210	H6	C4	C12	111.955
C7	C10	H11	115.712	C7	C12	H13	115.066
C7	C12	H14	111.623	H8	C7	H9	112.799
H8	C7	C10	113.122	H8	C7	C12	115.902
H9	C7	C10	112.210	H9	C7	C12	111.955
C10	C4	C12	88.708	C10	C7	C12	88.708
H13	C12	H14	112.254

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HSEh1PBE/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	-0.750
2	H	0.314
3	H	0.314
4	C	-0.317
5	H	0.163
6	H	0.160
7	C	-0.317
8	H	0.163
9	H	0.160
10	C	-0.048
11	H	0.137
12	C	-0.321
13	H	0.160
14	H	0.184

	x	y	z	Total
	0.198	1.318	0.000	1.332
CHELPG
AIM
ESP

	x	y	z
x	7.128	-0.509	0.000
y	-0.509	6.779	0.000
z	0.000	0.000	7.015

<r²>	112.698
(<r²>)^1/2	10.616

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)