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	hartrees
Energy at 0K	-211.391259
Energy at 298.15K	-211.402299
Nuclear repulsion energy	188.692491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3396	3333	1.45
2	A'	3095	3037	27.06
3	A'	3060	3003	23.05
4	A'	3029	2972	29.17
5	A'	3006	2950	10.10
6	A'	2888	2834	103.97
7	A'	1618	1588	25.48
8	A'	1457	1430	9.09
9	A'	1426	1399	5.19
10	A'	1353	1328	22.13
11	A'	1256	1232	9.70
12	A'	1216	1193	1.83
13	A'	1152	1131	6.13
14	A'	1082	1062	5.73
15	A'	974	956	3.47
16	A'	894	877	2.62
17	A'	861	845	44.68
18	A'	794	779	111.90
19	A'	636	625	3.30
20	A'	397	389	4.90
21	A'	185	182	1.88
22	A"	3491	3425	0.10
23	A"	3064	3006	7.86
24	A"	3002	2945	57.81
25	A"	1419	1392	4.59
26	A"	1319	1294	0.02
27	A"	1239	1216	1.60
28	A"	1217	1195	0.03
29	A"	1195	1173	1.26
30	A"	1122	1101	0.96
31	A"	1006	987	0.14
32	A"	955	937	1.29
33	A"	923	906	1.39
34	A"	760	745	1.70
35	A"	387	380	14.97
36	A"	273	268	28.63

Atom	x (Å)	y (Å)	z (Å)
N1	-1.455	0.736	0.000
H2	-1.827	1.221	0.825
H3	-1.827	1.221	-0.825
C4	0.534	-0.179	-1.064
H5	-0.081	-0.319	-1.970
H6	1.559	0.102	-1.362
C7	0.534	-0.179	1.064
H8	-0.081	-0.319	1.970
H9	1.559	0.102	1.362
C10	-0.013	0.786	0.000
H11	0.422	1.812	0.000
C12	0.534	-1.284	0.000
H13	1.362	-2.011	0.000
H14	-0.428	-1.820	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0266	1.0266	2.4341	2.6234	3.3674	2.4341	2.6234	3.3674	1.4435	2.1638	2.8346	3.9349	2.7544
H2	1.0266		1.6500	3.3317	3.6375	4.1827	2.7549	2.5941	3.6058	2.0401	2.4674	3.5393	4.6148	3.4472
H3	1.0266	1.6500		2.7549	2.5941	3.6058	3.3317	3.6375	4.1827	2.0401	2.4674	3.5393	4.6148	3.4472
C4	2.4341	3.3317	2.7549		1.1043	1.1039	2.1279	3.0992	2.6482	1.5366	2.2600	1.5338	2.2748	2.1791
H5	2.6234	3.6375	2.5941	1.1043		1.7994	3.0992	3.9408	3.7375	2.2598	2.9452	2.2786	2.9716	2.5011
H6	3.3674	4.1827	3.6058	1.1039	1.7994		2.6482	3.7375	2.7231	2.1886	2.4632	2.1969	2.5219	3.0815
C7	2.4341	2.7549	3.3317	2.1279	3.0992	2.6482		1.1043	1.1039	1.5366	2.2600	1.5338	2.2748	2.1791
H8	2.6234	2.5941	3.6375	3.0992	3.9408	3.7375	1.1043		1.7994	2.2598	2.9452	2.2786	2.9716	2.5011
H9	3.3674	3.6058	4.1827	2.6482	3.7375	2.7231	1.1039	1.7994		2.1886	2.4632	2.1969	2.5219	3.0815
C10	1.4435	2.0401	2.0401	1.5366	2.2598	2.1886	1.5366	2.2598	2.1886		1.1143	2.1405	3.1164	2.6383
H11	2.1638	2.4674	2.4674	2.2600	2.9452	2.4632	2.2600	2.9452	2.4632	1.1143		3.0975	3.9367	3.7296
C12	2.8346	3.5393	3.5393	1.5338	2.2786	2.1969	1.5338	2.2786	2.1969	2.1405	3.0975		1.1024	1.1008
H13	3.9349	4.6148	4.6148	2.2748	2.9716	2.5219	2.2748	2.9716	2.5219	3.1164	3.9367	1.1024		1.8003
H14	2.7544	3.4472	3.4472	2.1791	2.5011	3.0815	2.1791	2.5011	3.0815	2.6383	3.7296	1.1008	1.8003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	109.488	N1	C10	C7	109.488
N1	C10	H11	114.941	H2	N1	H3	106.950
H2	N1	C10	110.212	H3	N1	C10	110.212
C4	C10	C7	87.641	C4	C10	H11	116.066
C4	C12	C7	87.840	C4	C12	H13	118.373
C4	C12	H14	110.526	H5	C4	H6	109.155
H5	C4	C10	116.729	H5	C4	C12	118.573
H6	C4	C10	110.898	H6	C4	C12	111.758
C7	C10	H11	116.066	C7	C12	H13	118.373
C7	C12	H14	110.526	H8	C7	H9	109.155
H8	C7	C10	116.729	H8	C7	C12	118.573
H9	C7	C10	110.898	H9	C7	C12	111.758
C10	C4	C12	88.393	C10	C7	C12	88.393
H13	C12	H14	109.592

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: LSDA/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	-0.723
2	H	0.312
3	H	0.312
4	C	-0.318
5	H	0.159
6	H	0.157
7	C	-0.318
8	H	0.159
9	H	0.157
10	C	-0.051
11	H	0.130
12	C	-0.318
13	H	0.159
14	H	0.184

	x	y	z	Total
	-0.047	1.310	0.000	1.311
CHELPG
AIM
ESP

	x	y	z
x	7.482	-0.474	0.000
y	-0.474	6.921	0.000
z	0.000	0.000	7.213

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)