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	hartrees
Energy at 0K	-36.832717
Energy at 298.15K	-36.844117
Nuclear repulsion energy	105.005642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3348	0.62
2	A'	3322	2983	121.88
3	A'	3285	2950	54.21
4	A'	3256	2924	53.09
5	A'	3235	2905	65.25
6	A'	3179	2855	110.75
7	A'	1822	1636	33.89
8	A'	1645	1477	3.10
9	A'	1603	1440	2.23
10	A'	1515	1360	32.13
11	A'	1429	1283	0.94
12	A'	1343	1206	5.86
13	A'	1251	1123	21.82
14	A'	1164	1046	6.98
15	A'	1030	925	18.98
16	A'	982	882	106.19
17	A'	950	854	5.26
18	A'	880	791	18.68
19	A'	717	644	0.45
20	A'	421	378	5.24
21	A'	168	150	1.52
22	A"	3815	3426	0.09
23	A"	3290	2954	16.79
24	A"	3233	2903	126.02
25	A"	1603	1440	0.41
26	A"	1479	1328	1.44
27	A"	1395	1253	0.16
28	A"	1378	1237	0.29
29	A"	1327	1192	0.13
30	A"	1274	1144	0.31
31	A"	1113	999	0.47
32	A"	1014	911	0.36
33	A"	991	889	4.02
34	A"	814	731	0.68
35	A"	413	371	13.52
36	A"	307	275	37.02

Atom	x (Å)	y (Å)	z (Å)
N1	-1.422	0.876	0.000
H2	-1.730	1.393	0.808
H3	-1.730	1.393	-0.808
C4	0.514	-0.235	-1.085
H5	-0.141	-0.366	-1.945
H6	1.522	-0.007	-1.433
C7	0.514	-0.235	1.085
H8	-0.141	-0.366	1.945
H9	1.522	-0.007	1.433
C10	0.041	0.772	0.000
H11	0.538	1.747	0.000
C12	0.514	-1.353	0.000
H13	1.354	-2.048	0.000
H14	-0.417	-1.915	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0075	1.0075	2.4819	2.6396	3.3914	2.4819	2.6396	3.3914	1.4667	2.1445	2.9523	4.0313	2.9668
H2	1.0075		1.6164	3.3570	3.6331	4.1904	2.7862	2.6288	3.5952	2.0435	2.4335	3.6370	4.6902	3.6497
H3	1.0075	1.6164		2.7862	2.6288	3.5952	3.3570	3.6331	4.1904	2.0435	2.4335	3.6370	4.6902	3.6497
C4	2.4819	3.3570	2.7862		1.0897	1.0910	2.1691	3.1027	2.7219	1.5537	2.2596	1.5572	2.2728	2.2056
H5	2.6396	3.6331	2.6288	1.0897		1.7770	3.1027	3.8908	3.7831	2.2609	2.9511	2.2777	2.9744	2.5022
H6	3.3914	4.1904	3.5952	1.0910	1.7770		2.7219	3.7831	2.8668	2.2032	2.4694	2.2098	2.4998	3.0752
C7	2.4819	2.7862	3.3570	2.1691	3.1027	2.7219		1.0897	1.0910	1.5537	2.2596	1.5572	2.2728	2.2056
H8	2.6396	2.6288	3.6331	3.1027	3.8908	3.7831	1.0897		1.7770	2.2609	2.9511	2.2777	2.9744	2.5022
H9	3.3914	3.5952	4.1904	2.7219	3.7831	2.8668	1.0910	1.7770		2.2032	2.4694	2.2098	2.4998	3.0752
C10	1.4667	2.0435	2.0435	1.5537	2.2609	2.2032	1.5537	2.2609	2.2032		1.0944	2.1765	3.1098	2.7256
H11	2.1445	2.4335	2.4335	2.2596	2.9511	2.4694	2.2596	2.9511	2.4694	1.0944		3.0997	3.8811	3.7844
C12	2.9523	3.6370	3.6370	1.5572	2.2777	2.2098	1.5572	2.2777	2.2098	2.1765	3.0997		1.0898	1.0875
H13	4.0313	4.6902	4.6902	2.2728	2.9744	2.4998	2.2728	2.9744	2.4998	3.1098	3.8811	1.0898		1.7753
H14	2.9668	3.6497	3.6497	2.2056	2.5022	3.0752	2.2056	2.5022	3.0752	2.7256	3.7844	1.0875	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.474	N1	C10	C7	110.474
N1	C10	H11	112.915	H2	N1	H3	106.678
H2	N1	C10	109.968	H3	N1	C10	109.968
C4	C10	C7	88.539	C4	C10	H11	116.060
C4	C12	C7	88.287	C4	C12	H13	117.227
C4	C12	H14	111.782	H5	C4	H6	109.154
H5	C4	C10	116.488	H5	C4	C12	117.663
H6	C4	C10	111.630	H6	C4	C12	111.910
C7	C10	H11	116.060	C7	C12	H13	117.227
C7	C12	H14	111.782	H8	C7	H9	109.154
H8	C7	C10	116.488	H8	C7	C12	117.663
H9	C7	C10	111.630	H9	C7	C12	111.910
C10	C4	C12	88.794	C10	C7	C12	88.794
H13	C12	H14	109.251

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/CEP-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	-0.699
2	H	0.284
3	H	0.284
4	C	-0.259
5	H	0.133
6	H	0.093
7	C	-0.259
8	H	0.133
9	H	0.093
10	C	-0.001
11	H	0.156
12	C	-0.200
13	H	0.131
14	H	0.109

	x	y	z	Total
	0.449	1.407	0.000	1.477
CHELPG
AIM
ESP

	x	y	z
x	6.546	-0.512	0.000
y	-0.512	6.801	0.000
z	0.000	0.000	7.083

<r²>	97.426
(<r²>)^1/2	9.870

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)