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	hartrees
Energy at 0K	-212.520799
Energy at 298.15K
Nuclear repulsion energy	185.369805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3355	3345	4.81
2	A'	3042	3033	63.93
3	A'	3012	3003	18.07
4	A'	2991	2982	42.47
5	A'	2977	2968	18.95
6	A'	2878	2869	100.26
7	A'	1611	1607	16.63
8	A'	1464	1460	2.94
9	A'	1444	1439	1.56
10	A'	1333	1329	20.86
11	A'	1245	1242	4.50
12	A'	1204	1200	0.24
13	A'	1116	1112	6.29
14	A'	1042	1038	9.80
15	A'	925	922	10.29
16	A'	852	850	4.24
17	A'	819	816	102.85
18	A'	789	786	13.70
19	A'	661	659	0.98
20	A'	394	393	4.83
21	A'	130	130	0.92
22	A"	3429	3419	0.39
23	A"	3019	3010	8.92
24	A"	2973	2964	84.84
25	A"	1435	1431	2.22
26	A"	1298	1294	0.19
27	A"	1240	1236	0.04
28	A"	1226	1222	0.34
29	A"	1188	1184	0.58
30	A"	1140	1136	0.83
31	A"	1004	1001	0.17
32	A"	899	896	0.33
33	A"	878	875	1.53
34	A"	744	741	0.15
35	A"	378	377	7.06
36	A"	248	248	28.50

Atom	x (Å)	y (Å)	z (Å)
N1	-1.402	0.975	0.000
H2	-1.677	1.526	0.817
H3	-1.677	1.526	-0.817
C4	0.484	-0.259	-1.092
H5	-0.207	-0.379	-1.934
H6	1.489	-0.054	-1.481
C7	0.484	-0.259	1.092
H8	-0.207	-0.379	1.934
H9	1.489	-0.054	1.481
C10	0.061	0.777	0.000
H11	0.636	1.719	0.000
C12	0.484	-1.377	0.000
H13	1.329	-2.074	0.000
H14	-0.448	-1.949	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0229	1.0229	2.5053	2.6461	3.4076	2.5053	2.6461	3.4076	1.4770	2.1696	3.0156	4.0939	3.0766
H2	1.0229		1.6348	3.3916	3.6546	4.2191	2.8166	2.6521	3.5997	2.0615	2.4605	3.7102	4.7605	3.7756
H3	1.0229	1.6348		2.8166	2.6521	3.5997	3.3916	3.6546	4.2191	2.0615	2.4605	3.7102	4.7605	3.7756
C4	2.5053	3.3916	2.8166		1.0960	1.0963	2.1839	3.1060	2.7696	1.5639	2.2649	1.5625	2.2801	2.2175
H5	2.6461	3.6546	2.6521	1.0960		1.7848	3.1060	3.8674	3.8265	2.2689	2.9751	2.2834	2.9955	2.5027
H6	3.4076	4.2191	3.5997	1.0963	1.7848		2.7696	3.8265	2.9623	2.2187	2.4631	2.2251	2.5094	3.0876
C7	2.5053	2.8166	3.3916	2.1839	3.1060	2.7696		1.0960	1.0963	1.5639	2.2649	1.5625	2.2801	2.2175
H8	2.6461	2.6521	3.6546	3.1060	3.8674	3.8265	1.0960		1.7848	2.2689	2.9751	2.2834	2.9955	2.5027
H9	3.4076	3.5997	4.2191	2.7696	3.8265	2.9623	1.0963	1.7848		2.2187	2.4631	2.2251	2.5094	3.0876
C10	1.4770	2.0615	2.0615	1.5639	2.2689	2.2187	1.5639	2.2689	2.2187		1.1032	2.1955	3.1204	2.7737
H11	2.1696	2.4605	2.4605	2.2649	2.9751	2.4631	2.2649	2.9751	2.4631	1.1032		3.0999	3.8559	3.8252
C12	3.0156	3.7102	3.7102	1.5625	2.2834	2.2251	1.5625	2.2834	2.2251	2.1955	3.0999		1.0952	1.0938
H13	4.0939	4.7605	4.7605	2.2801	2.9955	2.5094	2.2801	2.9955	2.5094	3.1204	3.8559	1.0952		1.7814
H14	3.0766	3.7756	3.7756	2.2175	2.5027	3.0876	2.2175	2.5027	3.0876	2.7737	3.8252	1.0938	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.914	N1	C10	C7	110.914
N1	C10	H11	113.670	H2	N1	H3	106.085
H2	N1	C10	109.763	H3	N1	C10	109.763
C4	C10	C7	88.565	C4	C10	H11	115.154
C4	C12	C7	88.665	C4	C12	H13	117.076
C4	C12	H14	111.977	H5	C4	H6	109.006
H5	C4	C10	115.965	H5	C4	C12	117.310
H6	C4	C10	111.825	H6	C4	C12	112.443
C7	C10	H11	115.154	C7	C12	H13	117.076
C7	C12	H14	111.977	H8	C7	H9	109.006
H8	C7	C10	115.965	H8	C7	C12	117.310
H9	C7	C10	111.825	H9	C7	C12	112.443
C10	C4	C12	89.210	C10	C7	C12	89.210
H13	C12	H14	108.934

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: BLYP/cc-pVTZ

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	-0.325
2	H	0.119
3	H	0.119
4	C	-0.147
5	H	0.068
6	H	0.067
7	C	-0.147
8	H	0.068
9	H	0.067
10	C	0.039
11	H	0.059
12	C	-0.135
13	H	0.076
14	H	0.070

	x	y	z	Total
	0.321	1.120	0.000	1.165
CHELPG
AIM
ESP

<r²>	116.775
(<r²>)^1/2	10.806

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)