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	hartrees
Energy at 0K	-211.329546
Energy at 298.15K	-211.340408
Nuclear repulsion energy	187.896778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3498	3427	0.86
2	A'	3110	3046	36.26
3	A'	3076	3013	21.64
4	A'	3038	2976	26.71
5	A'	3014	2953	16.49
6	A'	2873	2815	130.05
7	A'	1628	1595	40.23
8	A'	1468	1439	9.93
9	A'	1450	1421	7.07
10	A'	1361	1333	30.20
11	A'	1259	1234	16.17
12	A'	1236	1211	0.52
13	A'	1176	1152	4.37
14	A'	1078	1057	7.28
15	A'	970	951	3.19
16	A'	901	883	3.55
17	A'	856	839	3.98
18	A'	663	650	10.03
19	A'	480	471	256.88
20	A'	406	398	10.90
21	A'	182	178	1.55
22	A"	3624	3550	3.16
23	A"	3078	3016	11.56
24	A"	3008	2947	56.62
25	A"	1441	1412	8.58
26	A"	1307	1280	0.16
27	A"	1261	1235	1.44
28	A"	1239	1214	1.30
29	A"	1185	1161	5.14
30	A"	1122	1099	0.14
31	A"	1011	991	0.19
32	A"	958	939	2.56
33	A"	916	898	0.67
34	A"	777	761	1.04
35	A"	398	390	7.46
36	A"	219	215	28.73

Atom	x (Å)	y (Å)	z (Å)
N1	-1.439	0.789	0.000
H2	-1.902	1.089	0.857
H3	-1.902	1.089	-0.857
C4	0.532	-0.184	-1.072
H5	-0.097	-0.322	-1.968
H6	1.556	0.089	-1.382
C7	0.532	-0.184	1.072
H8	-0.097	-0.322	1.968
H9	1.556	0.089	1.382
C10	-0.003	0.796	0.000
H11	0.465	1.809	0.000
C12	0.532	-1.294	0.000
H13	1.365	-2.016	0.000
H14	-0.428	-1.834	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0188	1.0188	2.4456	2.6285	3.3723	2.4456	2.6285	3.3723	1.4358	2.1596	2.8682	3.9660	2.8120
H2	1.0188		1.7134	3.3561	3.6369	4.2393	2.7550	2.5463	3.6379	2.1036	2.6181	3.5125	4.5873	3.3842
H3	1.0188	1.7134		2.7550	2.5463	3.6379	3.3561	3.6369	4.2393	2.1036	2.6181	3.5125	4.5873	3.3842
C4	2.4456	3.3561	2.7550		1.1030	1.1043	2.1439	3.1071	2.6734	1.5478	2.2637	1.5435	2.2800	2.1897
H5	2.6285	3.6369	2.5463	1.1030		1.8008	3.1071	3.9355	3.7582	2.2651	2.9542	2.2832	2.9794	2.5039
H6	3.3723	4.2393	3.6379	1.1043	1.8008		2.6734	3.7582	2.7649	2.2005	2.4617	2.2076	2.5252	3.0896
C7	2.4456	2.7550	3.3561	2.1439	3.1071	2.6734		1.1030	1.1043	1.5478	2.2637	1.5435	2.2800	2.1897
H8	2.6285	2.5463	3.6369	3.1071	3.9355	3.7582	1.1030		1.8008	2.2651	2.9542	2.2832	2.9794	2.5039
H9	3.3723	3.6379	4.2393	2.6734	3.7582	2.7649	1.1043	1.8008		2.2005	2.4617	2.2076	2.5252	3.0896
C10	1.4358	2.1036	2.1036	1.5478	2.2651	2.2005	1.5478	2.2651	2.2005		1.1157	2.1578	3.1268	2.6645
H11	2.1596	2.6181	2.6181	2.2637	2.9542	2.4617	2.2637	2.9542	2.4617	1.1157		3.1040	3.9289	3.7510
C12	2.8682	3.5125	3.5125	1.5435	2.2832	2.2076	1.5435	2.2832	2.2076	2.1578	3.1040		1.1017	1.1011
H13	3.9660	4.5873	4.5873	2.2800	2.9794	2.5252	2.2800	2.9794	2.5252	3.1268	3.9289	1.1017		1.8016
H14	2.8120	3.3842	3.3842	2.1897	2.5039	3.0896	2.1897	2.5039	3.0896	2.6645	3.7510	1.1011	1.8016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.048	N1	C10	C7	110.048
N1	C10	H11	115.066	H2	N1	H3	114.468
H2	N1	C10	116.945	H3	N1	C10	116.945
C4	C10	C7	87.671	C4	C10	H11	115.445
C4	C12	C7	87.972	C4	C12	H13	118.100
C4	C12	H14	110.664	H5	C4	H6	109.336
H5	C4	C10	116.402	H5	C4	C12	118.289
H6	C4	C10	111.039	H6	C4	C12	111.897
C7	C10	H11	115.445	C7	C12	H13	118.100
C7	C12	H14	110.664	H8	C7	H9	109.336
H8	C7	C10	116.402	H8	C7	C12	118.289
H9	C7	C10	111.039	H9	C7	C12	111.897
C10	C4	C12	88.539	C10	C7	C12	88.539
H13	C12	H14	109.737

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	-0.715
2	H	0.301
3	H	0.301
4	C	-0.291
5	H	0.149
6	H	0.151
7	C	-0.291
8	H	0.149
9	H	0.151
10	C	-0.063
11	H	0.130
12	C	-0.302
13	H	0.151
14	H	0.178

	x	y	z	Total
	-0.371	0.995	0.000	1.062
CHELPG
AIM
ESP

	x	y	z
x	7.526	-0.336	0.000
y	-0.336	6.589	0.000
z	0.000	0.000	7.068

<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)