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	hartrees
Energy at 0K	-37.837228
Energy at 298.15K	-37.848195
Nuclear repulsion energy	103.642053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3465	3377	6.52
2	A'	3105	3025	103.56
3	A'	3071	2993	23.40
4	A'	3033	2956	45.43
5	A'	3012	2936	45.11
6	A'	2916	2842	133.23
7	A'	1689	1645	34.01
8	A'	1514	1475	4.40
9	A'	1493	1455	2.00
10	A'	1372	1337	29.82
11	A'	1289	1257	6.27
12	A'	1236	1204	0.38
13	A'	1165	1135	5.19
14	A'	1072	1045	8.87
15	A'	946	922	0.57
16	A'	878	855	3.18
17	A'	822	801	6.14
18	A'	702	684	52.03
19	A'	643	626	164.27
20	A'	406	396	6.46
21	A'	129	125	1.21
22	A"	3591	3499	0.75
23	A"	3078	2999	15.11
24	A"	3009	2933	109.51
25	A"	1487	1449	3.74
26	A"	1328	1294	1.02
27	A"	1285	1252	0.08
28	A"	1264	1231	1.43
29	A"	1210	1179	1.64
30	A"	1164	1134	0.13
31	A"	1025	998	0.01
32	A"	946	922	1.21
33	A"	908	884	2.89
34	A"	775	755	0.05
35	A"	391	381	8.67
36	A"	239	233	38.76

Atom	x (Å)	y (Å)	z (Å)
N1	-1.384	0.998	0.000
H2	-1.737	1.448	0.843
H3	-1.737	1.448	-0.843
C4	0.494	-0.270	-1.101
H5	-0.209	-0.388	-1.934
H6	1.497	-0.070	-1.501
C7	0.494	-0.270	1.101
H8	-0.209	-0.388	1.934
H9	1.497	-0.070	1.501
C10	0.080	0.777	0.000
H11	0.664	1.716	0.000
C12	0.494	-1.395	0.000
H13	1.344	-2.089	0.000
H14	-0.438	-1.969	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0186	1.0186	2.5198	2.6538	3.4202	2.5198	2.6538	3.4202	1.4806	2.1700	3.0425	4.1195	3.1141
H2	1.0186		1.6865	3.4219	3.6629	4.2732	2.8274	2.6254	3.6327	2.1122	2.5585	3.7110	4.7652	3.7510
H3	1.0186	1.6865		2.8274	2.6254	3.6327	3.4219	3.6629	4.2732	2.1122	2.5585	3.7110	4.7652	3.7510
C4	2.5198	3.4219	2.8274		1.0968	1.0980	2.2028	3.1184	2.7963	1.5748	2.2769	1.5748	2.2899	2.2292
H5	2.6538	3.6629	2.6254	1.0968		1.7892	3.1184	3.8685	3.8492	2.2763	2.9882	2.2916	3.0077	2.5085
H6	3.4202	4.2732	3.6327	1.0980	1.7892		2.7963	3.8492	3.0026	2.2317	2.4776	2.2396	2.5205	3.0991
C7	2.5198	2.8274	3.4219	2.2028	3.1184	2.7963		1.0968	1.0980	1.5748	2.2769	1.5748	2.2899	2.2292
H8	2.6538	2.6254	3.6629	3.1184	3.8685	3.8492	1.0968		1.7892	2.2763	2.9882	2.2916	3.0077	2.5085
H9	3.4202	3.6327	4.2732	2.7963	3.8492	3.0026	1.0980	1.7892		2.2317	2.4776	2.2396	2.5205	3.0991
C10	1.4806	2.1122	2.1122	1.5748	2.2763	2.2317	1.5748	2.2763	2.2317		1.1058	2.2112	3.1320	2.7940
H11	2.1700	2.5585	2.5585	2.2769	2.9882	2.4776	2.2769	2.9882	2.4776	1.1058		3.1157	3.8650	3.8459
C12	3.0425	3.7110	3.7110	1.5748	2.2916	2.2396	1.5748	2.2916	2.2396	2.2112	3.1157		1.0965	1.0947
H13	4.1195	4.7652	4.7652	2.2899	3.0077	2.5205	2.2899	3.0077	2.5205	3.1320	3.8650	1.0965		1.7857
H14	3.1141	3.7510	3.7510	2.2292	2.5085	3.0991	2.2292	2.5085	3.0991	2.7940	3.8459	1.0947	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	111.079	N1	C10	C7	111.079
N1	C10	H11	113.275	H2	N1	H3	111.760
H2	N1	C10	114.103	H3	N1	C10	114.103
C4	C10	C7	88.754	C4	C10	H11	115.169
C4	C12	C7	88.758	C4	C12	H13	116.882
C4	C12	H14	111.994	H5	C4	H6	109.215
H5	C4	C10	115.709	H5	C4	C12	117.004
H6	C4	C10	111.986	H6	C4	C12	112.623
C7	C10	H11	115.169	C7	C12	H13	116.882
C7	C12	H14	111.994	H8	C7	H9	109.215
H8	C7	C10	115.709	H8	C7	C12	117.004
H9	C7	C10	111.986	H9	C7	C12	112.623
C10	C4	C12	89.186	C10	C7	C12	89.186
H13	C12	H14	109.157

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B3LYP/CEP-121G

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	-0.635
2	H	0.263
3	H	0.263
4	C	-0.310
5	H	0.129
6	H	0.116
7	C	-0.310
8	H	0.129
9	H	0.116
10	C	0.074
11	H	0.124
12	C	-0.224
13	H	0.131
14	H	0.132

	x	y	z	Total
	0.228	1.175	0.000	1.197
CHELPG
AIM
ESP

	x	y	z
x	7.851	-0.515	0.000
y	-0.515	7.753	0.000
z	0.000	0.000	7.919

<r²>	100.065
(<r²>)^1/2	10.003

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)