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	hartrees
Energy at 0K	-211.267232
Energy at 298.15K	-211.278136
Nuclear repulsion energy	184.266072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3207	15.93
2	A'	3095	3075	42.98
3	A'	3059	3039	20.21
4	A'	3026	3006	32.84
5	A'	3006	2986	18.95
6	A'	2868	2849	111.80
7	A'	1667	1656	8.03
8	A'	1501	1492	4.47
9	A'	1482	1473	2.96
10	A'	1338	1330	19.89
11	A'	1249	1241	7.98
12	A'	1212	1204	0.87
13	A'	1101	1093	0.42
14	A'	1036	1029	8.34
15	A'	908	902	4.10
16	A'	859	854	0.77
17	A'	813	808	0.24
18	A'	713	708	146.71
19	A'	643	639	16.64
20	A'	385	382	4.50
21	A'	155	154	2.03
22	A"	3322	3300	6.38
23	A"	3063	3043	9.47
24	A"	3000	2981	57.71
25	A"	1477	1468	2.24
26	A"	1311	1302	0.01
27	A"	1267	1259	0.84
28	A"	1244	1236	0.02
29	A"	1196	1188	0.36
30	A"	1136	1129	1.95
31	A"	1040	1033	0.21
32	A"	875	869	0.83
33	A"	867	861	2.25
34	A"	743	738	0.61
35	A"	380	378	13.32
36	A"	282	280	38.68

Atom	x (Å)	y (Å)	z (Å)
N1	-1.464	0.816	0.000
H2	-1.828	1.305	0.841
H3	-1.828	1.305	-0.841
C4	0.526	-0.205	-1.106
H5	-0.141	-0.341	-1.967
H6	1.549	0.039	-1.434
C7	0.526	-0.205	1.106
H8	-0.141	-0.341	1.967
H9	1.549	0.039	1.434
C10	0.027	0.816	0.000
H11	0.518	1.811	0.000
C12	0.526	-1.342	0.000
H13	1.371	-2.045	0.000
H14	-0.434	-1.871	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0381	1.0381	2.4954	2.6382	3.4261	2.4954	2.6382	3.4261	1.4910	2.2186	2.9360	4.0276	2.8778
H2	1.0381		1.6811	3.4072	3.6659	4.2635	2.8093	2.6123	3.6548	2.0942	2.5435	3.6409	4.7073	3.5687
H3	1.0381	1.6811		2.8093	2.6123	3.6548	3.4072	3.6659	4.2635	2.0942	2.5435	3.6409	4.7073	3.5687
C4	2.4954	3.4072	2.8093		1.0988	1.1009	2.2110	3.1476	2.7479	1.5853	2.2992	1.5862	2.3068	2.2189
H5	2.6382	3.6659	2.6123	1.0988		1.8125	3.1476	3.9349	3.8167	2.2886	2.9898	2.3063	3.0100	2.5097
H6	3.4261	4.2635	3.6548	1.1009	1.8125		2.7479	3.8167	2.8671	2.2307	2.5019	2.2376	2.5352	3.1042
C7	2.4954	2.8093	3.4072	2.2110	3.1476	2.7479		1.0988	1.1009	1.5853	2.2992	1.5862	2.3068	2.2189
H8	2.6382	2.6123	3.6659	3.1476	3.9349	3.8167	1.0988		1.8125	2.2886	2.9898	2.3063	3.0100	2.5097
H9	3.4261	3.6548	4.2635	2.7479	3.8167	2.8671	1.1009	1.8125		2.2307	2.5019	2.2376	2.5352	3.1042
C10	1.4910	2.0942	2.0942	1.5853	2.2886	2.2307	1.5853	2.2886	2.2307		1.1104	2.2151	3.1607	2.7264
H11	2.2186	2.5435	2.5435	2.2992	2.9898	2.5019	2.2992	2.9898	2.5019	1.1104		3.1535	3.9492	3.8040
C12	2.9360	3.6409	3.6409	1.5862	2.3063	2.2376	1.5862	2.3063	2.2376	2.2151	3.1535		1.0985	1.0970
H13	4.0276	4.7073	4.7073	2.3068	3.0100	2.5352	2.3068	3.0100	2.5352	3.1607	3.9492	1.0985		1.8137
H14	2.8778	3.5687	3.5687	2.2189	2.5097	3.1042	2.2189	2.5097	3.1042	2.7264	3.8040	1.0970	1.8137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	108.378	N1	C10	C7	108.378
N1	C10	H11	116.284	H2	N1	H3	108.127
H2	N1	C10	110.511	H3	N1	C10	110.511
C4	C10	C7	88.428	C4	C10	H11	115.945
C4	C12	C7	88.364	C4	C12	H13	117.302
C4	C12	H14	110.239	H5	C4	H6	110.973
H5	C4	C10	115.812	H5	C4	C12	117.236
H6	C4	C10	110.999	H6	C4	C12	111.479
C7	C10	H11	115.945	C7	C12	H13	117.302
C7	C12	H14	110.239	H8	C7	H9	110.973
H8	C7	C10	115.812	H8	C7	C12	117.236
H9	C7	C10	110.999	H9	C7	C12	111.479
C10	C4	C12	88.602	C10	C7	C12	88.602
H13	C12	H14	111.395

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: BLYP/3-21G*

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	-0.593
2	H	0.242
3	H	0.242
4	C	-0.309
5	H	0.167
6	H	0.167
7	C	-0.309
8	H	0.167
9	H	0.167
10	C	-0.094
11	H	0.134
12	C	-0.338
13	H	0.159
14	H	0.197

	x	y	z	Total
	-0.006	1.334	0.000	1.334
CHELPG
AIM
ESP

<r²>	115.975
(<r²>)^1/2	10.769

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)