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	hartrees
Energy at 0K	-212.497895
Energy at 298.15K	-212.508877
Nuclear repulsion energy	185.850907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3521	3387	1.56
2	A'	3154	3034	68.49
3	A'	3124	3005	15.87
4	A'	3089	2972	34.92
5	A'	3073	2957	25.26
6	A'	2953	2841	119.39
7	A'	1702	1637	25.61
8	A'	1538	1480	4.24
9	A'	1521	1464	2.30
10	A'	1400	1347	30.85
11	A'	1311	1261	6.16
12	A'	1261	1213	0.22
13	A'	1185	1140	3.82
14	A'	1083	1042	10.04
15	A'	959	922	1.00
16	A'	894	860	2.41
17	A'	840	808	4.30
18	A'	705	678	23.92
19	A'	609	586	209.61
20	A'	415	400	6.74
21	A'	134	129	1.46
22	A"	3637	3498	0.01
23	A"	3130	3011	10.53
24	A"	3069	2952	70.56
25	A"	1514	1456	2.95
26	A"	1352	1301	1.03
27	A"	1312	1262	0.10
28	A"	1285	1236	1.20
29	A"	1230	1183	2.04
30	A"	1185	1140	0.25
31	A"	1049	1009	0.00
32	A"	949	913	1.12
33	A"	917	883	1.84
34	A"	789	759	0.43
35	A"	401	386	8.38
36	A"	246	237	39.43

Atom	x (Å)	y (Å)	z (Å)
N1	-1.390	0.970	0.000
H2	-1.767	1.392	0.842
H3	-1.767	1.392	-0.842
C4	0.489	-0.249	-1.091
H5	-0.201	-0.371	-1.931
H6	1.493	-0.041	-1.477
C7	0.489	-0.249	1.091
H8	-0.201	-0.371	1.931
H9	1.493	-0.041	1.477
C10	0.059	0.784	0.000
H11	0.632	1.728	0.000
C12	0.489	-1.366	0.000
H13	1.334	-2.061	0.000
H14	-0.443	-1.935	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0143	1.0143	2.4918	2.6343	3.3932	2.4918	2.6343	3.3932	1.4607	2.1597	2.9979	4.0749	3.0548
H2	1.0143		1.6835	3.3943	3.6397	4.2493	2.8013	2.5972	3.6172	2.1004	2.5649	3.6613	4.7166	3.6777
H3	1.0143	1.6835		2.8013	2.5972	3.6172	3.3943	3.6397	4.2493	2.1004	2.5649	3.6613	4.7166	3.6777
C4	2.4918	3.3943	2.8013		1.0938	1.0952	2.1824	3.1024	2.7651	1.5635	2.2629	1.5613	2.2773	2.2138
H5	2.6343	3.6397	2.5972	1.0938		1.7844	3.1024	3.8621	3.8200	2.2650	2.9709	2.2795	2.9903	2.4968
H6	3.3932	4.2493	3.6172	1.0952	1.7844		2.7651	3.8200	2.9539	2.2178	2.4597	2.2237	2.5077	3.0850
C7	2.4918	2.8013	3.3943	2.1824	3.1024	2.7651		1.0938	1.0952	1.5635	2.2629	1.5613	2.2773	2.2138
H8	2.6343	2.5972	3.6397	3.1024	3.8621	3.8200	1.0938		1.7844	2.2650	2.9709	2.2795	2.9903	2.4968
H9	3.3932	3.6172	4.2493	2.7651	3.8200	2.9539	1.0952	1.7844		2.2178	2.4597	2.2237	2.5077	3.0850
C10	1.4607	2.1004	2.1004	1.5635	2.2650	2.2178	1.5635	2.2650	2.2178		1.1041	2.1930	3.1180	2.7650
H11	2.1597	2.5649	2.5649	2.2629	2.9709	2.4597	2.2629	2.9709	2.4597	1.1041		3.0971	3.8534	3.8172
C12	2.9979	3.6613	3.6613	1.5613	2.2795	2.2237	1.5613	2.2795	2.2237	2.1930	3.0971		1.0938	1.0923
H13	4.0749	4.7166	4.7166	2.2773	2.9903	2.5077	2.2773	2.9903	2.5077	3.1180	3.8534	1.0938		1.7817
H14	3.0548	3.6777	3.6777	2.2138	2.4968	3.0850	2.2138	2.4968	3.0850	2.7650	3.8172	1.0923	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.917	N1	C10	C7	110.917
N1	C10	H11	113.999	H2	N1	H3	112.168
H2	N1	C10	114.936	H3	N1	C10	114.936
C4	C10	C7	88.518	C4	C10	H11	114.960
C4	C12	C7	88.681	C4	C12	H13	117.030
C4	C12	H14	111.864	H5	C4	H6	109.203
H5	C4	C10	115.809	H5	C4	C12	117.215
H6	C4	C10	111.851	H6	C4	C12	112.486
C7	C10	H11	114.960	C7	C12	H13	117.030
C7	C12	H14	111.864	H8	C7	H9	109.203
H8	C7	C10	115.809	H8	C7	C12	117.215
H9	C7	C10	111.851	H9	C7	C12	112.486
C10	C4	C12	89.143	C10	C7	C12	89.143
H13	C12	H14	109.169

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	N	-0.700
2	H	0.276
3	H	0.276
4	C	-0.230
5	H	0.126
6	H	0.121
7	C	-0.230
8	H	0.126
9	H	0.121
10	C	-0.009
11	H	0.100
12	C	-0.246
13	H	0.121
14	H	0.146

	x	y	z	Total
	0.105	1.165	0.000	1.170
CHELPG
AIM
ESP

	x	y	z
x	7.123	-0.514	0.000
y	-0.514	6.590	0.000
z	0.000	0.000	6.946

<r²>	115.449
(<r²>)^1/2	10.745

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)